SCHEMBL9770636

SCHEMBL9770636

C=CCOP(=O)(N(CC=C)CC=C)N(CC=C)CC=C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL45275 0.76 MEN1 (0.30)
SCHEMBL1598735 0.71
SCHEMBL30605 0.71 TSHR (0.38) ALDH1A1
SCHEMBL423317 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11873748 0.70
SCHEMBL9570202 0.69 LPAR2 (0.32) ALDH1A1
SCHEMBL3507987 0.69 CYP3A4 (0.32) ALDH1A1
SCHEMBL3203191 0.67 TP53 (0.32) ALDH1A1TDP1
SCHEMBL15847030 0.67 LPAR3 (0.50) TDP1
SCHEMBL9065637 0.67 LPAR2 (0.31) ALDH1A1

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-4987128-A ANTIALDOSTERONES, NATRIURETICS ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4701449-A Novel 10-substituted steroids and their use in the induction of aldosterone antagonistic activity ROUSSEL UCLAF (FR) 1987-10-20 US disclosed