SCHEMBL4356877

SCHEMBL4356877

CCOC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)NC5CC5)cc4)ccc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL4531625 0.91 ALDH1A1 (0.40) ALDH1A1NPSR1MAPTSMN1; SMN2KDM4E
SCHEMBL4353651 0.91 KCNH2 (0.38) ALDH1A1HSD17B10NPSR1TP53HPGD
SCHEMBL4349657 0.90 GPR119 (0.44) ALDH1A1NPSR1RAB9ASMN1; SMN2KDM4E
SCHEMBL4358687 0.90 SMN1; SMN2 (0.46) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL4354226 0.89 KDM4E (0.45) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL4356930 0.89 HDAC4 (0.50)
SCHEMBL4534565 0.88 KDM4E (0.40) ALDH1A1HSD17B10TP53HPGDMAPT
SCHEMBL4354023 0.88 SMN1; SMN2 (0.44) ALDH1A1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL4360439 0.88 TSHR (0.44) ALDH1A1HSD17B10NPSR1HPGDMAPT
SCHEMBL4533472 0.87 KMT2A (0.44) NPC1RAB9ASMN1; SMN2

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
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