SCHEMBL9625470

SCHEMBL9625470

C=C(C)C#N.C=CC=CC=CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARA Q07869 1/20 0.30

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
Acrylonitrile SCHEMBL1615980 0.82 TSHR (0.39) TSHRALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL28109643 0.81 TDP1 (0.58) TDP1TSHRALDH1A1ALOX15RECQL
Maleic Acid SCHEMBL28101984 0.81 TDP1 (0.58) TDP1TSHRALDH1A1ALOX15RECQL
SCHEMBL1649611 0.81 TSHR (0.44) TDP1TSHRALDH1A1ALOX15RECQL
SCHEMBL29958938 0.81 TSHR (0.44) TDP1TSHRALDH1A1ALOX15RECQL
SCHEMBL13448114 0.81
SCHEMBL1649613 0.81 TSHR (0.44) TDP1TSHRALDH1A1ALOX15RECQL
SCHEMBL28915767 0.81 TSHR (0.44) TDP1TSHRALDH1A1ALOX15RECQL
SCHEMBL4436498 0.81
SCHEMBL96612 0.81

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270318-B1 MODIFIED STRUCTURAL ADHESIVES LORD CORPORATION (US) 1992-04-15 EP disclosed
US-4769419-A ACRYLATED CONJUGATED POLYMERS REACTED WITH ISOCYANATES LORD CORPORATION, A CORP OF PA. 1988-09-06 US disclosed