SCHEMBL9303073

SCHEMBL9303073

CCCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(CCC)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
THRB P10828 3/20 0.44
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRA P10827 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL9303078 1.00 F2 (0.52) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL8203714 1.00 F2 (0.52) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11412150 0.96 F2 (0.51) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL8045353 0.96 F2 (0.55) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL8029232 0.96 F2 (0.55) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11412686 0.95 F2 (0.50) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11409445 0.95 F2 (0.50) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11407526 0.95 F2 (0.50) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11405609 0.95 F2 (0.52) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL9302511 0.94 F2 (0.51) F2THRBKMT2AHTTSMN1; 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
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