SCHEMBL6814360

SCHEMBL6814360

COCc1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.76
RAB9A P51151 10/20 0.76
POLB P06746 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
KMT2A Q03164 2/20 0.76
TDP1 Q9NUW8 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
MAPK1 P28482 1/20 0.76
HSD17B10 Q99714 1/20 0.71
KDM4E B2RXH2 1/20 0.70
HSP90AA1 P07900 2/20 0.66
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL6814497 0.86 POLB (0.75) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL3191767 0.85 NPC1 (0.61) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815339 0.84 POLB (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6818904 0.84 RAB9A (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL2558347 0.84 POLB (0.81) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL3229701 0.83 POLB (0.75) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814744 0.83 NPC1 (0.73) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL1756431 0.82 NPC1 (0.72) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814465 0.82 NPC1 (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL1756442 0.82 POLB (0.73) NPC1RAB9APOLBSMN1; SMN2KMT2A

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-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed