SCHEMBL6814474

SCHEMBL6814474

CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 10/20 1.00
POLB P06746 4/20 0.67
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.62
HSP90AA1 P07900 1/20 0.59
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL6814465 0.88 NPC1 (0.78) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6811118 0.87 NPC1 (0.77) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6815339 0.84 POLB (0.77) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6815302 0.84 NPC1 (0.73) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6814497 0.83 POLB (0.75) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6914115 0.83 NPC1 (0.71) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6810899 0.82 NPC1 (0.70) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6810773 0.82 POLB (0.73) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL6815374 0.82 POLB (0.73) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL1756442 0.82 POLB (0.73) NPC1RAB9APOLBKMT2ASMN1; 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-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