SCHEMBL5081222

SCHEMBL5081222

COc1ccc(C(=O)OCc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.57
RARB P10826 2/20 0.57
RARG P13631 2/20 0.57
RXRA P19793 5/20 0.52
RXRB P28702 4/20 0.52
RXRG P48443 3/20 0.52
NR1H4 Q96RI1 2/20 0.52
EPHX2 P34913 1/20 0.52
WDR5 P61964 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.47
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
HIF1A Q16665 1/20 0.46
NR4A2 P43354 1/20 0.45
HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8839343 0.91 MEN1 (0.56) RARARARBRARGNPC1RAB9A
SCHEMBL8839128 0.90 SMN1; SMN2 (0.54) RARARARBRARGNPC1RAB9A
SCHEMBL8839378 0.90 RARA (0.48) RARARARBRARGRXRARXRB
SCHEMBL8839085 0.90 RARA (0.48) RARARARBRARGRXRARXRB
SCHEMBL8839075 0.89 RARA (0.44) RARARARBRARGRXRARXRB
Acetic Acid Methyl Ester SCHEMBL8839374 0.86 RAB9A (0.50) RARARARBRARGRXRARXRB
SCHEMBL8839285 0.86 RXRA (0.49) RARARARBRARGRXRARXRB
SCHEMBL8839261 0.86 RARA (0.51) RARARARBRARGNR1H4EPHX2
SCHEMBL9350564 0.86 RARA (0.43) RARARARBRARGRXRARXRB
SCHEMBL8839094 0.86 RARA (0.46) RARARARBRARGRXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556844-A SYNERGISTIC, SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-09-17 US claimed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US claimed
EP-0465343-B1 Pharmaceutical or cosmetical composition comprising a retinoid and a sterol in association CIRD GALDERMA (FR) 1994-06-15 EP claimed
US-20080255244-A1 Administering a Calmodulin-dependent protein kinase (M kinase II) gamma inhibitor; acute myelogenous leukemia, chronic myelogenous leukemia, gastrointestinal stromal tumor, small cell lung cancer, non-small cell lung cancer, ovarian cancer FRED HUTCHINSON CANCER RESEARCH CENTER 2008-10-16 US disclosed
US-5688817-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, IMMUNOLOGY AND RHEUMATIC DISORDERS CENTRE INT'L. DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-18 US disclosed
US-5668156-A TREATMENT OF WARTS, ACNE, PSORIASIS, CORNEOPATHIES, KETONES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-09-16 US disclosed
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed
US-5587367-A SYNERGISTIC EFFECT IN TREATING SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-12-24 US disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
US-5556844-A SYNERGISTIC, SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-09-17 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 US disclosed
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed