SCHEMBL9834753

SCHEMBL9834753

O=C(O)C1=Cc2cc(C(O)C3CCCCC3)sc2CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.45
HIF1A Q16665 2/20 0.33
DHODH Q02127 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9836560 0.85 DHODH (0.34) TBXAS1HIF1ADHODH
SCHEMBL9835558 0.77 TBXAS1 (0.63) TBXAS1
SCHEMBL9836736 0.69 TBXAS1 (0.43) TBXAS1HIF1ADHODH
SCHEMBL9836236 0.68 TBXAS1 (0.59) TBXAS1
SCHEMBL9871950 0.64 NPC1 (0.42) TBXAS1DHODH
SCHEMBL9871091 0.62 TBXAS1 (0.36) TBXAS1
SCHEMBL9837432 0.61 TBXAS1 (0.36) TBXAS1
SCHEMBL9834643 0.60 NPC1 (0.38)
SCHEMBL5210765 0.59 ACMSD (0.49) HIF1ADHODHCYP2C9
SCHEMBL718693 0.59 HSD17B2 (0.46)

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-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed