SCHEMBL9722348

SCHEMBL9722348

C=CCc1c(CCC)c(O)cc2c1OCC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
DHFR P00374 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL9722345 0.78 POLB (0.33) POLBGABRA1GABRB2
SCHEMBL9028225 0.77 DHFR (0.38) POLBDHFR
SCHEMBL10460143 0.66 GABRA1 (0.43) POLBGABRA1GABRB2
SCHEMBL8702480 0.66 SRD5A1 (0.39) POLBGABRA1GABRB2
SCHEMBL11541695 0.66 MEN1 (0.38) POLB
SCHEMBL7586358 0.65 OSBP (0.31)
SCHEMBL26065397 0.64 HTR1A (0.32)
SCHEMBL9028140 0.64 KDM4E (0.38) POLBDHFRGABRA1GABRB2
SCHEMBL9027401 0.63 CYP26A1 (0.35) DHFRGABRA1GABRB2
SCHEMBL9028351 0.63 CYP19A1 (0.41) DHFRGABRA1GABRB2ESR1ESR2

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-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed