SCHEMBL6921633

SCHEMBL6921633

COCOc1c(C=CC(=O)O)cccc1-c1cc(C)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
PTGER4 P35408 9/20 0.37
PTGER2 P43116 9/20 0.37
PTGER3 P43115 8/20 0.37
PTGER1 P34995 6/20 0.37
RXRA P19793 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP26A1 O43174 2/20 0.35
CYP3A4 P08684 1/20 0.34
RARA P10276 2/20 0.34
CYP26B1 Q9NR63 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6880805 0.86 RXRA (0.52) BACE1PTGER4PTGER2PTGER3PTGER1
SCHEMBL6921631 0.80 RARG (0.33) RXRACYP26A1RARACYP26B1
SCHEMBL6880784 0.74 RXRA (0.52) PTGER4PTGER2PTGER3PTGER1RXRA
SCHEMBL6879445 0.74 RXRA (0.56) PTGER4PTGER2PTGER3PTGER1RXRA
SCHEMBL6879963 0.72 RXRA (0.49) PTGER4PTGER2PTGER3PTGER1RXRA
SCHEMBL6472627 0.72 CYP26A1 (0.42) RXRASMN1; SMN2CYP26A1CYP3A4RARA
SCHEMBL6472625 0.72 CYP26A1 (0.42) RXRASMN1; SMN2CYP26A1CYP3A4RARA
SCHEMBL4653617 0.70 KDM4E (0.51) BACE1PTGER4PTGER2PTGER3PTGER1
SCHEMBL4653615 0.70 KDM4E (0.51) BACE1PTGER4PTGER2PTGER3PTGER1
SCHEMBL6874750 0.69 RXRA (0.47) BACE1RXRASMN1; SMN2CYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US claimed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 US claimed