SCHEMBL28052471

SCHEMBL28052471

COC(=O)CC/C=C(\C)CCC=C(C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
ALOX15 P16050 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
UGT1A1 P22309 1/20 0.55
POLB P06746 1/20 0.55
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
SQLE Q14534 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL17554314 1.00 KMT2A (0.61) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL10916246 1.00 KMT2A (0.61) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL5321097 1.00 KMT2A (0.61) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL10916255 1.00 KMT2A (0.61) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL11215304 1.00 KMT2A (0.61) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL13420641 0.92 KMT2A (0.57) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL17182998 0.92 KMT2A (0.57) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL17182999 0.92 KMT2A (0.57) KMT2AALOX15ALDH1A1MAPTMEN1
SCHEMBL493731 0.92 TSHR (0.55) KMT2AALOX15ALDH1A1MEN1CYP3A4
SCHEMBL9580063 0.90 ALOX15 (0.55) KMT2AALOX15ALDH1A1MAPTMEN1

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
CN-105358190-A Adhesion preventing agent FARNEX INC 2016-02-24 CN disclosed