SCHEMBL642246

SCHEMBL642246

CCCCC1(C(C)(C)C)CC(=O)CCN1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 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
SCHEMBL5137200 0.81 KDM4E (0.31) RAB9A
SCHEMBL1835615 0.81 NPSR1 (0.31) RAB9A
SCHEMBL25181136 0.72 GNAI3 (0.33)
SCHEMBL642662 0.72
SCHEMBL643401 0.69
SCHEMBL21752643 0.68
SCHEMBL1857923 0.68 GAA (0.32)
SCHEMBL642699 0.66 ALDH1A1 (0.35)
SCHEMBL16538836 0.64 CYP4F2 (0.32)
SCHEMBL146254 0.63

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed