SCHEMBL4950339

SCHEMBL4950339

CC1(C)CCC(C)(C)c2c(OCc3ccc(F)c(F)c3)cc([Se]C#Cc3ccc(C(O)C(=O)c4ccccc4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.35
PPARA Q07869 2/20 0.35
PTGER1 P34995 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ACACB O00763 1/20 0.33
RXRA P19793 1/20 0.32
HNF4A P41235 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL4950350 0.97 MAOA (0.35) MRGPRX4PPARAPTGER1MAOAMAOB
SCHEMBL4948101 0.88 RARB (0.41) MRGPRX4PPARAPTGER1MAOAMAOB
SCHEMBL4946301 0.84 CYP3A4 (0.39) MRGPRX4PPARAMAOAMAOBCYP26A1
SCHEMBL4951005 0.80 NR4A2 (0.49) MRGPRX4PPARAMAOBRXRAHNF4A
SCHEMBL4947926 0.80 NR4A2 (0.44) MRGPRX4PTGER1RXRAHNF4ACYP26A1
SCHEMBL4948642 0.79 RARB (0.41) MRGPRX4RXRACYP26A1CYP3A4CYP26B1
SCHEMBL4943814 0.78 NR4A2 (0.44) MRGPRX4PTGER1RXRAHNF4ACYP26A1
SCHEMBL4942429 0.78 RARB (0.43) MRGPRX4MAOBRXRAHNF4ACYP26A1
SCHEMBL4948843 0.77 RARB (0.44) MRGPRX4RXRAHNF4ACYP26A1CYP3A4
SCHEMBL4945312 0.77 MRGPRX4 (0.43) MRGPRX4MAOAMAOBACACBCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513803-B1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RES & DEV (FR) 2008-06-18 EP claimed