SCHEMBL8839072

SCHEMBL8839072

CC(C)(C)c1cc(C(=O)OCc2ccc(C(=O)O)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
RARA P10276 1/20 0.53
RXRA P19793 4/20 0.51
RXRB P28702 4/20 0.51
RXRG P48443 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
NR4A2 P43354 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR1H4 Q96RI1 2/20 0.44
ESRRA P11474 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL8839077 0.90 LMNA (0.59) RXRARXRBRXRGKMT2AMEN1
SCHEMBL11832048 0.88 MAPT (0.52) KMT2AMEN1HSP90AA1HSP90AB1LMNA
SCHEMBL5080279 0.88 RXRA (0.52) RARBRARGRARARXRARXRB
Benzoic Acid SCHEMBL9364247 0.84 RXRA (0.55) RXRARXRBRXRGKMT2AMEN1
SCHEMBL5081222 0.84 RARA (0.57) RARBRARGRARARXRARXRB
Terephthalic Acid SCHEMBL28752167 0.81 ALDH1A1 (0.58) RARBRARGRARARXRARXRB
SCHEMBL8839285 0.81 RXRA (0.49) RARBRARGRARARXRARXRB
SCHEMBL5364276 0.80 CA12 (0.68) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL8875221 0.79 RXRA (0.47) RARBRARGRARARXRARXRB
SCHEMBL384263 0.79 RARB (0.71) RARBRARGRARARXRARXRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US claimed
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-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-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