SCHEMBL7605136

SCHEMBL7605136

CC1(C)CCC(C)(C)c2c(O)cc([Se]C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.54
RARG P13631 14/20 0.54
RARA P10276 10/20 0.54
CYP26A1 O43174 1/20 0.54
CYP3A4 P08684 1/20 0.54
CRABP2 P29373 1/20 0.54
HNF4A P41235 2/20 0.47
RXRA P19793 8/20 0.45
RXRB P28702 5/20 0.42
RXRG P48443 4/20 0.42

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
SCHEMBL4946746 0.88 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4942693 0.88 CYP3A4 (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6871558 0.85 RARA (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6873444 0.83 RARB (0.70) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6883506 0.81 RARG (0.47) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6880706 0.80 RXRA (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4948843 0.79 RARB (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4943199 0.79 RXRA (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4943814 0.79 NR4A2 (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4947926 0.79 NR4A2 (0.44) RARBRARGRARACYP26A1CYP3A4

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
EP-0952975-B1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-07-10 EP claimed
EP-0952975-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP claimed
WO-1999010322-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 WO claimed
EP-0952975-B1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-07-10 EP disclosed
EP-0952975-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP disclosed
WO-1999010322-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 WO disclosed