SCHEMBL11207006

SCHEMBL11207006

C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(C)=O)C(=O)COC(C)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.54
▸ LMNA P02545 7/20 0.54
▸ PGR P06401 6/20 0.54
▸ CYP3A4 P08684 6/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ NR3C1 P04150 5/20 0.54
▸ CHRM1 P11229 4/20 0.54
▸ NPSR1 Q6W5P4 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ ABCB11 O95342 2/20 0.54
▸ CHRM2 P08172 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ SHBG P04278 1/20 0.54
▸ NR3C2 P08235 1/20 0.54
▸ HRH2 P25021 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ AKR1C1 Q04828 1/20 0.54

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
SCHEMBL11203342 0.94 AR (0.50) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL11205510 0.90 LMNA (0.55) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL11239936 0.89 AR (0.48) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL11237524 0.89 AR (0.57) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL13941337 0.88 LMNA (0.67) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL9622429 0.88 LMNA (0.67) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL853001 0.88 LMNA (0.67) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL11205039 0.88 NR3C1 (0.60) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL835740 0.85 AR (0.68) ARLMNAPGRCYP3A4SMN1; SMN2
SCHEMBL9622215 0.85 AR (0.68) ARLMNAPGRCYP3A4SMN1; SMN2

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-0034115-B1 PROCESS FOR THE PREPARATION OF 6-METHYLENE STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-08 — — EP disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 — — US disclosed
EP-0034115-A2 Process for the preparation of 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1981-08-19 — — EP disclosed
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