SCHEMBL7517239

SCHEMBL7517239

CCCOCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 5/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
MAOA P21397 2/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SRD5A2 P31213 1/20 0.33

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
SCHEMBL17740480 0.88 NPC1 (0.45) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL17740485 0.86 RARB (0.43) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL16922710 0.85 SRD5A2 (0.40) MAOBMAOASRD5A2
SCHEMBL17740479 0.83 RARA (0.46) NPC1MAOBRARARARB
SCHEMBL8051851 0.82 NPC1 (0.40) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6566277 0.80 MAPT (0.34) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL6566269 0.80 MAPT (0.34) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL18499559 0.79 ESR1 (0.47) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL8051871 0.79 RARB (0.40) NPC1MAPTSMN1; SMN2RARARARB
SCHEMBL9762731 0.79 PARP10 (0.35) NPC1MAPTCASP3RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738709-B1 Ester derivate, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2002-01-23 EP disclosed
EP-1010687-A2 Ester derivative, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 2000-06-21 EP disclosed
US-5755994-A LARGE DIELECTRIC ANISOTROPIC CHISSO CORPORATION (JP) 1998-05-26 US disclosed
EP-0738709-A2 Ester derivate, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-10-23 EP disclosed