SCHEMBL11488683

SCHEMBL11488683

O=C(O)C1=C(C(=O)O)SCCO1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTNNB1 P35222 1/20 0.31
WNT3A P56704 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
SCHEMBL3764121 0.74 MAPK1 (0.36) MAPK1HSD17B10CTNNB1WNT3A
SCHEMBL8930182 0.74 MAPK1 (0.39) MAPK1HSD17B10CTNNB1WNT3A
SCHEMBL11639802 0.67 FOLH1 (0.32)
SCHEMBL8930162 0.62
SCHEMBL8930221 0.62 HSD17B10 (0.35) MAPK1HSD17B10
SCHEMBL9173258 0.62 ALDH1A1 (0.35)
SCHEMBL12835333 0.62 HCAR2 (0.31)
SCHEMBL8929974 0.62 MAPK1 (0.32) MAPK1HSD17B10
SCHEMBL6143781 0.61 MAPK1 (0.35) MAPK1HSD17B10
SCHEMBL13005846 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4220646-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, HYPNOTIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1980-09-02 US disclosed
US-4131674-A TRANQUILIZERS, HYPNOTICS, ANTICONVULSANTS, ANTISPASMODICS RHONE-POULENC INDUSTRIES (FR) 1978-12-26 US disclosed
US-4086348-A 2-(1,8-NAPHTHYRIDIN-2-YL)-3-AMINOCARBONYLOXYISOINOLIN-1-ONES; TRANQUILIZERS, HYPNOTICS, ANTICONVULSANTS, ANTISPASMODICS RHONE-POULENC INDUSTRIES (FR) 1978-04-25 US disclosed