SCHEMBL10694876

SCHEMBL10694876

COC(=O)C(C#N)=Cc1ccc(OCCCOc2ccc(C=C(C#N)C(=O)OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 6/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.52
DNM1 Q05193 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL10694794 0.96 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL10694789 0.96 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL12477636 0.94 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL141604 0.94 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL12372703 0.92 KDM4E (0.56) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL14854440 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL21457153 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL21457151 0.89 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL10413552 0.86 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTTDP1
SCHEMBL10413551 0.86 KDM4E (0.59) ALDH1A1KDM4EKMT2AMAPTTDP1

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-4749774-A UNSATURATED POLYESTERS EASTMAN KODAK COMPANY (US) 1988-06-07 US disclosed