SCHEMBL11866705

SCHEMBL11866705

CCC(=CC#N)CCC=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 7/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
UGT1A1 P22309 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL1545903 0.86 SQLE (0.35) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL1545904 0.86 SQLE (0.35) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL5708611 0.77 KMT2A (0.56) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL114124 0.77 KMT2A (0.56) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL1472323 0.77 KMT2A (0.56) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL114125 0.77 KMT2A (0.56) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL7596544 0.75
SCHEMBL7944380 0.73 KMT2A (0.64) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL7944384 0.73 KMT2A (0.64) SQLEKMT2AMEN1CYP3A4ALOX15
SCHEMBL10933681 0.73 KMT2A (0.64) SQLEKMT2AMEN1CYP3A4ALOX15

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-3960923-A FROM KETONES AND ACETONITRILE, PERFUMES RHODIA, INC. (US) 1976-06-01 US disclosed