SCHEMBL6815302

SCHEMBL6815302

CCC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.73
RAB9A P51151 13/20 0.73
POLB P06746 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
KMT2A Q03164 3/20 0.71
MAPK1 P28482 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
HSD17B10 Q99714 1/20 0.63
KDM4E B2RXH2 1/20 0.62
HSP90AA1 P07900 2/20 0.59
MEN1 O00255 2/20 0.57
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL6810899 0.90 NPC1 (0.70) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6914115 0.88 NPC1 (0.71) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814465 0.88 NPC1 (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6811118 0.85 NPC1 (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814474 0.84 NPC1 (1.00) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815433 0.82 NPC1 (0.56) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814621 0.81 NPC1 (0.67) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6818904 0.81 RAB9A (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814496 0.80 NPC1 (0.53) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL8457176 0.80 RXRA (0.76) NPC1RAB9APOLBSMN1; SMN2CYP2C9

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