SCHEMBL17634366

SCHEMBL17634366

C=C1CC2[C@@H]3CC=C4C=C(C)CCC4C3CC[C@]2(CC)C1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.41
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL16387343 1.00 SRD5A2 (0.41) SRD5A2NLRP3
SCHEMBL4102408 0.88 SRD5A2 (0.39) SRD5A2
SCHEMBL15079262 0.88 SRD5A2 (0.39) SRD5A2
SCHEMBL16389403 0.88 SRD5A2 (0.39) SRD5A2
SCHEMBL17634422 0.88 SRD5A2 (0.39) SRD5A2
SCHEMBL16337497 0.86 SRD5A2 (0.38) SRD5A2
SCHEMBL16387351 0.85 SRD5A2 (0.49) SRD5A2NLRP3
SCHEMBL16387358 0.85 SRD5A2 (0.49) SRD5A2NLRP3
SCHEMBL16387360 0.85 SRD5A2 (0.49) SRD5A2NLRP3
SCHEMBL12973078 0.76 SRD5A2 (0.38) SRD5A2

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-9296780-B2 Process for alkynylating 16-substituted-17-keto steroids CRYSTAL PHARMA, S.A.U. (ES) 2016-03-29 US disclosed