SCHEMBL7951228

SCHEMBL7951228

C[C@]12CCC(=O)C(Cl)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.57
SRD5A2 P31213 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NR3C1 P04150 1/20 0.57
PGR P06401 1/20 0.57
ADRA1A P35348 1/20 0.57
HTR2B P41595 1/20 0.57
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 12/20 0.51
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL23801605 1.00 SHBG (0.57) SHBGSRD5A2ALDH1A1NR3C1PGR
SCHEMBL9544690 1.00 SHBG (0.57) SHBGSRD5A2ALDH1A1NR3C1PGR
Oxymesterone SCHEMBL141603 0.87 CYP3A4 (0.69) SHBGSRD5A2ALDH1A1NR3C1PGR
Oxymesterone SCHEMBL4317989 0.87 CYP3A4 (0.69) SHBGSRD5A2ALDH1A1NR3C1PGR
Oxymesterone SCHEMBL4317992 0.87 CYP3A4 (0.69) SHBGSRD5A2ALDH1A1NR3C1PGR
SCHEMBL9542574 0.86 CYP3A4 (0.67) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL9542566 0.86 CYP3A4 (0.67) SHBGALDH1A1NR3C1PGRADRA1A
SCHEMBL4588591 0.85 SRD5A2 (0.53) SHBGSRD5A2CYP3A4TSHRTHPO
SCHEMBL4588589 0.85 SRD5A2 (0.53) SHBGSRD5A2CYP3A4TSHRTHPO
SCHEMBL9542851 0.85 SHBG (0.57) SHBGSRD5A2ALDH1A1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001045678-A2 MEDICAMENT, A METHOD FOR ITS PRODUCTION AND THE USE THEREOF ID PHARMA GMBH (DE) 2001-06-28 WO claimed
EP-4257970-B1 METHOD FOR SIMULTANEOUS ANALYSIS OF PROHIBITED DRUGS AND METABOLITES THEREOF IN FOOD BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY KOREA INST SCI & TECH (KR) 2025-09-10 EP disclosed
US-20240238310-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2024-07-18 US disclosed
EP-4257970-A1 METHOD FOR SIMULTANEOUS ANALYSIS OF PROHIBITED DRUGS AND METABOLITES THEREOF IN FOOD BY GAS CHROMATOGRAPHY-MASS SPECTROMETRY Korea Institute of Science and Technology (KR) 2023-10-11 EP disclosed
US-20210283144-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2021-09-16 US disclosed
WO-2001045678-A2 MEDICAMENT, A METHOD FOR ITS PRODUCTION AND THE USE THEREOF ID PHARMA GMBH (DE) 2001-06-28 WO disclosed
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed