SCHEMBL8864751

SCHEMBL8864751

C=C(C)C(=O)c1ccccc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
PBRM1 Q86U86 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
MCL1 Q07820 1/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL10533216 0.93 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL4975385 0.85 CES2 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8604199 0.84 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPTALOX15
SCHEMBL28440125 0.83 KDM4E (0.48) ALDH1A1KDM4EMAPTPOLBCYP2C19
SCHEMBL279655 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL8297060 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL31107414 0.80 KDM4E (0.52) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL4087542 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL5852958 0.80 KDM4E (0.52) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL7596837 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 WO disclosed
US-5631309-A MIXTURE OF DYE AND POLYMER WHICH CAN UNDERGO DECARBOXYLATION; WATERPROOFING; NONSCORCHING AND NONSTICKING KAO CORPORATION (JP) 1997-05-20 US disclosed