SCHEMBL9302504

SCHEMBL9302504

CCCCCc1ccc(OC(=O)C2CCC([C@H]3CC[C@H](CCCC)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.51
THRB P10828 4/20 0.50
THRA P10827 3/20 0.50
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
FAAH O00519 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
SCHEMBL9302511 1.00 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL9189717 1.00 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11412220 0.99 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11412939 0.99 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11412043 0.98 F2 (0.51) F2THRBTHRAKMT2AHTT
SCHEMBL11416472 0.96 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11411889 0.96 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11418457 0.96 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11405165 0.96 THRB (0.52) F2THRBTHRAKMT2AHTT
SCHEMBL11416421 0.96 THRB (0.52) F2THRBTHRAKMT2AHTT

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