SCHEMBL9568182

SCHEMBL9568182

O=C(NC1CCCCC1C[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CPB1 P15086 2/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSB P07858 3/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46

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
SCHEMBL14368969 0.84 EPHX1 (0.55) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL3883690 0.84 EPHX1 (0.55) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL19515030 0.84 EPHX1 (0.55) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL14392357 0.84 EPHX1 (0.55) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL3883687 0.84 EPHX1 (0.55) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL6612597 0.83 EPHX1 (0.63) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL2187150 0.83 EPHX1 (0.52) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL27740066 0.83 CASP3 (0.56) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL26253804 0.83 EPHX1 (0.57) CASP3EPHX1ALDH1A1GAACPB1
SCHEMBL29068538 0.80 CPB1 (0.55) CASP3EPHX1ALDH1A1GAACPB1

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
EP-0532183-A2 Photosensitive polyamic alkyl ester composition and process for its use International Business Machines Corporation (US) 1993-03-17 EP disclosed