SCHEMBL11242494

SCHEMBL11242494

C=CC1(OC(=O)CC)CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.51
▸ CYP19A1 P11511 5/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ CYP17A1 P05093 2/20 0.44
▸ LMNA P02545 6/20 0.43
▸ CYP3A4 P08684 5/20 0.43
▸ PGR P06401 4/20 0.43
▸ NR3C1 P04150 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MLNR O43193 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL11242489 1.00 AR (0.51) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL11234814 0.85 AR (0.65) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL11239927 0.85 AR (0.68) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL11239910 0.85 AR (0.68) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL11245421 0.77 CYP17A1 (0.61) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL11245428 0.77 CYP17A1 (0.61) ARCYP19A1NR3C2CYP17A1LMNA
SCHEMBL9622429 0.77 LMNA (0.67) ARNR3C2CYP17A1LMNACYP3A4
SCHEMBL13941337 0.77 LMNA (0.67) ARNR3C2CYP17A1LMNACYP3A4
SCHEMBL853001 0.77 LMNA (0.67) ARNR3C2CYP17A1LMNACYP3A4
SCHEMBL9128571 0.77 SHBG (0.65) ARCYP19A1CYP17A1LMNAPGR

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-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 — — US disclosed
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