SCHEMBL6824607

SCHEMBL6824607

C=CCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
ENPP2 Q13822 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CASP3 P42574 1/20 0.53
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL1547024 0.89 POLB (0.65) ALDH1A1ENPP2L3MBTL1CASP3POLB
SCHEMBL29506649 0.89 POLB (0.65) ALDH1A1ENPP2L3MBTL1CASP3POLB
Hydrochloric Acid SCHEMBL11258671 0.88 POLB (0.63) ALDH1A1ENPP2L3MBTL1CASP3POLB
SCHEMBL1547317 0.88 L3MBTL1 (0.53) ALDH1A1TSHRENPP2L3MBTL1CASP3
SCHEMBL11267022 0.84 ALDH1A1 (0.54) ALDH1A1TSHRL3MBTL1CASP3POLB
SCHEMBL11078975 0.83 L3MBTL1 (0.57) ALDH1A1TSHRENPP2L3MBTL1CASP3
SCHEMBL11256702 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1CASP3POLBMEN1
SCHEMBL9174433 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1CASP3POLBTDP1
SCHEMBL11078513 0.83 L3MBTL1 (0.49) ALDH1A1TSHRL3MBTL1CASP3HPGD
SCHEMBL9244264 0.80 CASP3 (0.56) ALDH1A1L3MBTL1CASP3POLBTDP1

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
US-6794455-B2 Coagents for fluoroelastomer free radical-curable compositions DUPONT DOW ELASTOMERS 2004-09-21 US disclosed
US-20040116611-A1 COAGENTS FOR FLUOROELASTOMER FREE RADICAL-CURABLE COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY 2004-06-17 US disclosed