SCHEMBL9810489

SCHEMBL9810489

CCCCCc1ccc(C2(O)CCC(C(=O)OCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
OPRL1 P41146 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9810309 0.99 THRA (0.44) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810356 0.99 THRA (0.44) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810431 0.99 THRA (0.44) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810458 0.96 OPRL1 (0.46) OPRL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9810385 0.92 THRB (0.42) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810555 0.92 THRA (0.42) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810460 0.92 THRA (0.42) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810389 0.91 OPRM1 (0.43) OPRL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9810330 0.91 THRB (0.43) THRATHRBOPRL1S1PR1S1PR3
SCHEMBL9810591 0.91 THRA (0.43) THRATHRBOPRL1S1PR1S1PR3

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
US-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed