SCHEMBL9302657

SCHEMBL9302657

CCCc1ccc(OC(=O)C2CCC([C@H]3CC[C@H](CCC)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
THRB P10828 3/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 1/20 0.42
THRA P10827 1/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8211820 1.00 F2 (0.54) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL9302661 1.00 F2 (0.54) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL7949361 0.96 F2 (0.57) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL7949364 0.96 F2 (0.57) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL9486971 0.95 F2 (0.54) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL8203714 0.93 F2 (0.52) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL11422546 0.93 F2 (0.52) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL9303078 0.93 F2 (0.52) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL9303073 0.93 F2 (0.52) F2THRBKMT2ASMN1; SMN2HTT
SCHEMBL9301954 0.91 THRB (0.53) F2THRBKMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318721-A Nematic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-07 US disclosed
US-5286410-A Positive dielectric anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-02-15 US disclosed
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed
US-5178790-A With excellent steepness of characteristics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-12 US disclosed
US-4871469-A TRIFLUOROTOLUENE DERIVATIVES BESCRANKTER HAFTUNG (DE) 1989-10-03 US disclosed