SCHEMBL9634786

SCHEMBL9634786

C[C@]12CC=C3C4=C(CCCC4)CC[C@H]3[C@@H]1CCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SHBG P04278 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
SCHEMBL10619690 0.78 SHBG (0.31) SHBG
SCHEMBL5897753 0.74 NR3C1 (0.38) SHBG
SCHEMBL978478 0.73 SHBG (0.36) SHBG
SCHEMBL9622775 0.71 ABCB11 (0.39) SHBG
SCHEMBL5331450 0.70 SHBG (0.52) SHBG
SCHEMBL2532842 0.67
SCHEMBL6272318 0.67 HSD17B1 (0.44) SHBG
SCHEMBL5470756 0.65 CYP19A1 (0.39)
SCHEMBL11639279 0.65 CYP19A1 (0.43)
SCHEMBL11313520 0.63 CYP19A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298020-B1 USE OF AN EPOXIDATION REAGENT, AND PROCESS FOR THE PREPARATION OF 5-ALPHA (10-ALPHA) EPOXY-DELTA 9(11) STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-24 EP disclosed
US-4900725-A CONTRACEPTIVES ROUSSEL UCLAF (FR) 1990-02-13 US disclosed
EP-0135400-B1 ESTRADIENE DERIVATIVES LABELLED WITH TRITIUM, THEIR PREPARATION AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR UTILIZATION IN THE STUDY AND IN THE DETERMINATION OF STEROIDS IN BIOLOGICAL FLUIDS ROUSSEL-UCLAF (FR) 1988-06-01 EP disclosed