SCHEMBL7478726

SCHEMBL7478726

CC1(C)CCC(C)(C)c2c(C(=O)O)cc(-c3ccccc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.56
RARG P13631 9/20 0.56
RARA P10276 9/20 0.56
RXRA P19793 4/20 0.48
PTPN1 P18031 3/20 0.44
ACMSD Q8TDX5 2/20 0.44
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 3/20 0.43
HNF4A P41235 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL7701229 0.86 RARB (0.48) RARBRARGRARARXRA
SCHEMBL6347726 0.80 RARB (0.49) RARBRARGRARARXRAACMSD
SCHEMBL6348337 0.76 RARB (0.46) RARBRARGRARARXRAHNF4A
SCHEMBL6348359 0.76 RARB (0.46) RARBRARGRARARXRAHNF4A
SCHEMBL9551769 0.72 HNF4A (0.55) RARBRARGRARARXRAHNF4A
SCHEMBL14437917 0.72 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL6338148 0.71 RARB (0.41) RARBRARGRARARXRAHNF4A
SCHEMBL28646163 0.70 RXRA (0.59) RARBRARGRARARXRARXRB
SCHEMBL8350702 0.70 RARG (0.64) RARBRARGRARARXRARXRB
SCHEMBL6340706 0.70 RARB (0.40) RARBRARGRARARXRAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP disclosed
EP-0977749-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 2000-02-09 EP disclosed
WO-1998056783-A1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1998-12-17 WO disclosed