SCHEMBL14192564

SCHEMBL14192564

C=CC(=O)Cc1ccc(OC(=O)C2CCC(C3CCC(C4CCC(CCC)CC4)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
THRB P10828 3/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 2/20 0.37
HPGD P15428 1/20 0.35
THRA P10827 1/20 0.34
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
ACACB O00763 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 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
SCHEMBL14192390 0.93 THRB (0.44) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL14192540 0.86 ELANE (0.44) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL14192399 0.86 ELANE (0.44) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL14192432 0.86 THRB (0.44) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL12154174 0.85 THRB (0.44) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL11406359 0.85 F2 (0.49) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL8211820 0.83 F2 (0.54) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL9302661 0.83 F2 (0.54) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL9302657 0.83 F2 (0.54) F2THRBKMT2AHTTSMN1; SMN2
SCHEMBL9486971 0.83 F2 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed