SCHEMBL9213563

SCHEMBL9213563

COC(=O)/C=C(\OC)c1cccc2ccc(COc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
RAB9A P51151 3/20 0.41
FFAR1 O14842 1/20 0.41
MAOB P27338 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL9222166 1.00 MRGPRX4 (0.42) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8948942 0.92 MRGPRX4 (0.43) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8948936 0.92 MRGPRX4 (0.43) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8948946 0.92 MRGPRX4 (0.43) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL9214778 0.80 NR4A2 (0.44) SMN1; SMN2
SCHEMBL9218125 0.78 MTNR1A (0.44) RAB9ANPC1
SCHEMBL8948927 0.77 MRGPRX4 (0.42) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL8948931 0.77 MRGPRX4 (0.42) MRGPRX4RAB9AFFAR1MAOBTP53
SCHEMBL9213636 0.77 MTNR1A (0.43) RAB9ARXFP1NPC1
SCHEMBL9222769 0.77 MTNR1A (0.43) RAB9ARXFP1NPC1

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-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed