SCHEMBL24201145

SCHEMBL24201145

O=C(O)CC(=O)OC12CC3CC4CC(C1)C2(C4)C3

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.31
EPHX2 P34913 4/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALOX5 P09917 1/20 0.30
EPHX1 P07099 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
SCHEMBL24201139 0.84 CYP19A1 (0.33) ALDH1A1
SCHEMBL24201320 0.82 EPHX2 (0.33) EPHX2
SCHEMBL24201095 0.81 EPHX2 (0.32) EPHX2
SCHEMBL24201102 0.81 EPHX2 (0.32) EPHX2
SCHEMBL24201326 0.81 EPHX2 (0.32) EPHX2
SCHEMBL24201098 0.79 EPHX2 (0.31) EPHX2
SCHEMBL24201081 0.79 EPHX2 (0.31) EPHX2
SCHEMBL24201142 0.78 HSD11B1 (0.33) ALDH1A1KDM4EHTTHSD11B1POLB
SCHEMBL24201152 0.75 OPRK1 (0.30)
SCHEMBL24201283 0.75 OPRK1 (0.30)

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-3618833-B1 TRIPARTITE ANDROGEN RECEPTOR ELIMINATORS, METHODS AND USES THEREOF SPG THERAPEUTICS INC (US) 2022-01-19 EP disclosed