SCHEMBL6815433

SCHEMBL6815433

CCC(C)(C)c1cc(C)c(OCc2ccc(C(=O)O)o2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.56
RAB9A P51151 12/20 0.56
HSP90AA1 P07900 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 6/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6814496 0.88 NPC1 (0.53) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6815302 0.82 NPC1 (0.73) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6814621 0.79 NPC1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6810899 0.72 NPC1 (0.70) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6814465 0.72 NPC1 (0.78) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6914115 0.71 NPC1 (0.71) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6811118 0.70 NPC1 (0.77) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL6814474 0.69 NPC1 (1.00) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL15964156 0.69 NPC1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL3191767 0.68 NPC1 (0.61) NPC1RAB9AHSP90AA1SMN1; SMN2POLB

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