SCHEMBL20003838

SCHEMBL20003838

CCc1c(O)cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]2C3)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OSBP P22059 16/20 0.72
OSBP2 Q969R2 1/20 0.59
CYP19A1 P11511 3/20 0.35
PTPN1 P18031 1/20 0.35
PTGS2 P35354 1/20 0.32

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
SCHEMBL2608676 0.91 OSBP (0.73) OSBPOSBP2CYP19A1PTGS2
Schweinfurthin E SCHEMBL24867154 0.90 OSBP (0.77) OSBPOSBP2CYP19A1PTGS2
Schweinfurthin B SCHEMBL12042782 0.85 OSBP (0.85) OSBPOSBP2
Schweinfurthin B SCHEMBL847454 0.85 OSBP (0.85) OSBPOSBP2
SCHEMBL13076642 0.84 OSBP (0.71) OSBPOSBP2CYP19A1PTGS2
SCHEMBL12589142 0.84 OSBP (0.68) OSBPOSBP2CYP19A1
Schweinfurthin H SCHEMBL24867155 0.84 OSBP (1.00) OSBPOSBP2CYP19A1PTPN1
SCHEMBL12589198 0.83 OSBP (0.67) OSBPOSBP2CYP19A1
SCHEMBL30935456 0.83 OSBP (0.70) OSBPOSBP2CYP19A1PTGS2
SCHEMBL24867422 0.83 OSBP (0.70) OSBPOSBP2CYP19A1PTGS2

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-2432466-B1 SCHWEINFURTHINS AND USES THEREOF US HEALTH (US) 2018-03-28 EP disclosed