SCHEMBL6419796

SCHEMBL6419796

CC(C)CNc1c(-c2ccc(C(C)(C)C)cc2)cc(C(O)C#Cc2ccc(C(=O)OC(=O)c3ccc(C#CC(O)c4cc(-c5ccc(C(C)(C)C)cc5)c(NCCc5ccccc5)c(C(C)(C)C)c4)cc3)cc2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
ESRRG P62508 1/20 0.33
FAAH O00519 1/20 0.32
ACACB O00763 1/20 0.32
EGFR P00533 2/20 0.32
ADRB3 P13945 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 2/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6424178 0.93 NPC1 (0.33) RAB9ANPC1MMP8
SCHEMBL1406443 0.89 RAB9A (0.41) RAB9ANPC1ESRRGFAAHEGFR
SCHEMBL6424179 0.88 NPC1 (0.33) RAB9ANPC1ESRRGADRB3RARB
SCHEMBL1406342 0.86 RARB (0.44) FAAHRARBRARGGRIN2C
SCHEMBL1406969 0.83 MEN1 (0.38) RAB9ANPC1ACACBADRB3MEN1
SCHEMBL1406741 0.81 RARB (0.42) RAB9ANPC1FAAHEGFRCA1
SCHEMBL1406664 0.81 RARB (0.42) RAB9ANPC1RARBRARGGRIN2C
SCHEMBL6419793 0.81 PTGES (0.32) CYP2C19KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL1407006 0.79 RARG (0.35) ACACBADRB3RARBRARGGRIN2C
SCHEMBL6424171 0.76 PTGES (0.34) RARBRARGGRIN2C

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