SCHEMBL28128286

SCHEMBL28128286

CCC(=CCc1ccccc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 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
SCHEMBL28320732 0.87 CYP3A4 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL17018866 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL29037546 0.84 ELANE (0.40) ALDH1A1MEN1KMT2ALMNACA1
Ammonia Solution, Strong SCHEMBL27511857 0.83 ALDH1A1 (0.49) ALDH1A1KMT2ALMNATSHRMAPT
SCHEMBL5727501 0.82 CYP2C9 (0.46) ALDH1A1LMNAMAOBCA1CA2
SCHEMBL10705265 0.82 CYP2C9 (0.46) ALDH1A1LMNAMAOBCA1CA2
SCHEMBL24425868 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL715040 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9574050 0.79 CA12 (0.40) CA1
SCHEMBL10334107 0.78 TOP1 (0.39) ALDH1A1KDM4ELMNAMAOBCA1

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-103660657-B Inkjet recording method and printed material 富士胶片株式会社 2017-05-24 CN disclosed