SCHEMBL7992528

SCHEMBL7992528

C/C=C/C(=O)Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.46
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NLRP1 Q9C000 1/20 0.42
NTSR1 P30989 1/20 0.42
GAPDH P04406 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1245524 0.82 CES1 (0.52) CTBP2L3MBTL1HPGDLMNAKMT2A
SCHEMBL11810715 0.82 CES1 (0.52) CTBP2L3MBTL1HPGDLMNAKMT2A
SCHEMBL11810722 0.82 CES1 (0.52) CTBP2L3MBTL1HPGDLMNAKMT2A
SCHEMBL9065640 0.79 CTBP2 (0.48) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL13740300 0.78 CTBP2 (0.47) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL13000434 0.78 CTBP2 (0.47) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL17429397 0.77 GLA (0.50) RAB9ATDP1KMT2A
SCHEMBL4940818 0.73 L3MBTL1 (0.62) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL16835972 0.73 ALDH1A1 (0.48) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL12873383 0.73 CYP1A2 (0.47) L3MBTL1KMT2AMEN1

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-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 US disclosed