SCHEMBL11283296

SCHEMBL11283296

OC1C[C@H]2CC[C@H]3[C@@H](CCC4CCCC[C@@H]43)[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL16207199 0.86 TSHR (0.35) TSHR
SCHEMBL18391716 0.84 MAPT (0.32) TSHR
SCHEMBL11283293 0.84 MAPT (0.32) TSHR
SCHEMBL25688662 0.84 MAPT (0.32) TSHR
SCHEMBL18683565 0.84 MAPT (0.32) TSHR
SCHEMBL17538638 0.84 MAPT (0.32) TSHR
SCHEMBL9276620 0.84 MAPT (0.32) TSHR
SCHEMBL4544647 0.84 MAPT (0.32) TSHR
SCHEMBL21628145 0.84 MAPT (0.32) TSHR
SCHEMBL30156363 0.84 TSHR (0.33) TSHR

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-0063368-A1 Process for the preparation of pregn-4-ene-3,20-dione derivatives and 17-alpha-ethynyl-17-beta-trifluoroacetoxy-gon-4-ene-3-one derivatives, and pharmaceutical compositions containing the latter compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1982-10-27 EP disclosed