SCHEMBL6814602

SCHEMBL6814602

CC(C)(c1ccc(OCc2ccc(C(=O)O)o2)cc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.64
RAB9A P51151 12/20 0.64
POLB P06746 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.53
HSP90AA1 P07900 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6813734 0.87 NPC1 (0.58) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814465 0.81 NPC1 (0.78) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6810690 0.80 POLB (0.63) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814474 0.78 NPC1 (1.00) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815302 0.78 NPC1 (0.73) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6815683 0.77 NPC1 (0.61) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6914115 0.77 NPC1 (0.71) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6810899 0.76 NPC1 (0.70) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6811118 0.74 NPC1 (0.77) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL6814360 0.73 NPC1 (0.76) 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