SCHEMBL10914697

SCHEMBL10914697

C=CCNC(=O)/C(O)=C/C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
FAAH O00519 1/20 0.34
RAB9A P51151 2/20 0.34
FGFR4 P22455 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3424075 1.00 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL728393 0.77 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL4687179 0.77 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL4440627 0.76
SCHEMBL4952777 0.75 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL170795 0.74
SCHEMBL4933353 0.73
SCHEMBL12999524 0.72 PLA2G2A (0.44) ALDH1A1KDM4ELMNAFAAH
SCHEMBL29424 0.72
SCHEMBL29510 0.71

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-0180051-A1 Process for the production of an externally cross-linkable epoxy-free amino-poly(meth)acrylate resin, the resin obtainable thereby, its use, cathodic electrodeposition bath containing it and its use in the coating of objects Herberts Gesellschaft mit beschränkter Haftung (DE) 1986-05-07 EP disclosed