SCHEMBL9301965

SCHEMBL9301965

C=CC(=O)NCc1cccc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.43
EGFR P00533 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
TGM2 P21980 1/20 0.42
ELANE P08246 1/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9301993 0.85 TGM2 (0.52) BTKSMN1; SMN2TGM2ELANECYP3A4
SCHEMBL28499209 0.81 MEN1 (0.51) BTKEGFRALDH1A1HTTSMN1; SMN2
SCHEMBL6194954 0.79 TGM2 (0.50) BTKEGFRTGM2
SCHEMBL8476754 0.78 ROCK2 (0.55) BTKEGFRALDH1A1HTTSMN1; SMN2
SCHEMBL29660203 0.78 AURKA (0.51) BTKEGFRTGM2CYP3A4CYP2C19
SCHEMBL21100037 0.78 AURKA (0.51) BTKEGFRTGM2CYP3A4CYP2C19
SCHEMBL16959817 0.77 ELANE (0.49) SMN1; SMN2ELANECYP3A4MTNR1AMTNR1B
SCHEMBL732581 0.77 TGM2 (0.61) BTKEGFRALDH1A1TGM2HPGD
SCHEMBL18328128 0.76 ELANE (0.47) ALDH1A1HTTSMN1; SMN2ELANECYP3A4
SCHEMBL21481478 0.75 EGFR (0.51) BTKEGFRTGM2

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-5326840-A Radiation-sensitive mixture containing novel polymers embodying units composed of amides of α, β-unsaturated carboxylic acids as binders HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed