SCHEMBL23933274

SCHEMBL23933274

C=CCO[C@]12C[C@@H]3C[C@H](C1)C(=O)[C@@H](C3)C2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 3/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23933236 1.00 TSHR (0.43) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL23933276 1.00 TSHR (0.43) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL2343747 0.82 EPHX2 (0.36) NPSR1EPHX2ALDH1A1
SCHEMBL4806381 0.81 TSHR (0.42) TSHRNPSR1EPHX2
SCHEMBL13005842 0.80 NPSR1 (0.49) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL4340777 0.77 NPSR1 (0.47) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL1397825 0.77 NPSR1 (0.47) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL1156342 0.77 TSHR (0.43) TSHRNPSR1EPHX2
SCHEMBL23933250 0.76 NPSR1 (0.46) TSHRNPSR1EPHX2ALDH1A1
SCHEMBL23933249 0.76 NPSR1 (0.46) TSHRNPSR1EPHX2ALDH1A1

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
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed