SCHEMBL6422801

SCHEMBL6422801

CC1(C)CCC(C)(C)c2c(N3CCN(CCC(=O)O)CC3)cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc21.CC1(C)CCC(C)(C)c2c(N3CCN(CCC(=O)O)CC3)cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.38
RARG P13631 13/20 0.38
RARA P10276 12/20 0.38
CYP26A1 O43174 4/20 0.35
CYP3A4 P08684 4/20 0.35
CRABP2 P29373 1/20 0.35
CYP26B1 Q9NR63 1/20 0.33
RXRA P19793 3/20 0.33
TP53 P04637 2/20 0.32
BLM P54132 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6422811 0.94 RARA (0.32) RARBRARGRARACYP26A1HDAC3
SCHEMBL1406876 0.91 RARB (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6438580 0.89 RARA (0.38) RARBRARGRARA
SCHEMBL1406538 0.88 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406537 0.88 RARB (0.43) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6422800 0.87 RARB (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406659 0.81 RARB (0.56) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406662 0.81 RARB (0.56) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6421410 0.81 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1406590 0.81 RARB (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed