SCHEMBL4349648

SCHEMBL4349648

CC1(COC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)NCCc6ccco6)cc5)ccc4O3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CHRM5 P08912 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM1 P11229 1/20 0.33
OPRM1 P35372 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4531957 0.92 ALDH1A1 (0.46) ALDH1A1MAPK1RAB9ANPC1PKM
SCHEMBL4350129 0.88 KDM4E (0.37) ALDH1A1RAB9AKDM4ECHRM5CHRM2
SCHEMBL13586064 0.88 GPR119 (0.42) ALDH1A1RAB9ANPC1PKMKDM4E
SCHEMBL4352065 0.88 ALDH1A1 (0.39) ALDH1A1CYP2C9KDM4ECHRM5CHRM2
SCHEMBL4348559 0.87 MAPK14 (0.37) ALDH1A1KDM4ECHRM5CHRM2CHRM3
SCHEMBL4350015 0.87 GPR119 (0.41) ALDH1A1KDM4ECHRM5CHRM2CHRM3
SCHEMBL4541611 0.87 RAB9A (0.39) ALDH1A1RAB9ANPC1PKMCYP3A4
SCHEMBL4353651 0.85 KCNH2 (0.38) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL4353425 0.85 SCD5 (0.36) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4535777 0.85 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1PKMCYP3A4

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed