SCHEMBL8839201

SCHEMBL8839201

C=CCOC(=O)c1ccc(COC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
NR4A2 P43354 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
SNCA P37840 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 3/20 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
SCHEMBL9419972 0.91 SNCA (0.54) KMT2AMEN1NPC1RAB9ASNCA
SCHEMBL10392942 0.88 KMT2A (0.65) KMT2AMEN1NPC1RAB9ANR4A2
SCHEMBL11002185 0.84 KMT2A (0.74) KMT2AMEN1NPC1RAB9ANR4A2
SCHEMBL8839323 0.83 KMT2A (0.49) KMT2AMEN1NPC1SNCAALDH1A1
SCHEMBL8839073 0.82 RXRA (0.68) KMT2AMEN1NPC1RAB9ANR4A2
SCHEMBL18320469 0.81 KMT2A (0.69) KMT2AMEN1NPC1RAB9ANR4A2
SCHEMBL548224 0.81 SNCA (0.52) KMT2AMEN1NPC1RAB9ASNCA
SCHEMBL31715823 0.81 TDP1 (0.69) KMT2AMEN1NPC1RAB9ANR4A2
SCHEMBL17769232 0.81 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASNCA
SCHEMBL10590383 0.81 SNCA (0.55) KMT2AMEN1NPC1SNCACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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