SCHEMBL3840137

SCHEMBL3840137

CCCCOC(=O)Nc1c(C(=O)O)ccc(C)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 8/20 0.47
HPGD P15428 7/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL11524084 0.83 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL3532253 0.79 ATR (0.40) RAB9ANPC1LMNAPOLBKMT2A
SCHEMBL11522339 0.78 EPHX1 (0.51) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL7554895 0.75 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL9356536 0.72 MAPK1 (0.63) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL8108517 0.72 PLK1 (0.63) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL11520630 0.71 KDM4E (0.55) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL6100315 0.70 L3MBTL1 (0.47) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL4852614 0.69 NLRP3 (0.63) RAB9ASMN1; SMN2NPC1HPGDCYP1A2
SCHEMBL3840134 0.69 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1HPGDCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed