SCHEMBL9563164

SCHEMBL9563164

C=CC(c1ccccc1)C(C(C)=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.42
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKT1 P31749 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5835964 0.87 KMT2A (0.50) LMNAHPGDCYP2C19KMT2AALDH1A1
SCHEMBL9686671 0.84 MMP8 (0.46) LMNAKMT2ASMN1; SMN2
SCHEMBL5836538 0.84 LMNA (0.51) LMNAHPGDCYP2C19SRCCYP2D6
SCHEMBL13898117 0.82 LMNA (0.42) LMNACYP2C19KMT2AMTNR1AMTNR1B
SCHEMBL28026121 0.80 KMT2A (0.55) LMNACYP2C19KMT2AALDH1A1CYP3A4
SCHEMBL5836723 0.80 KMT2A (0.55) LMNACYP2C19KMT2AALDH1A1CYP3A4
SCHEMBL14419886 0.80 LMNA (0.40) LMNACYP2C19KMT2AAKT1ALDH1A1
SCHEMBL5836610 0.80 MAPT (0.50) LMNAKMT2ACES2CES1ALDH1A1
SCHEMBL9687500 0.78 MMP8 (0.49) LMNAKMT2ASMN1; SMN2
SCHEMBL5835956 0.78 KMT2A (0.51) LMNACYP2C19SRCCYP2D6KMT2A

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
EP-0557131-A2 Polymer-supported catalysts ROHM AND HAAS COMPANY (US) 1993-08-25 EP claimed
EP-0557131-A2 Polymer-supported catalysts ROHM AND HAAS COMPANY (US) 1993-08-25 EP disclosed