SCHEMBL11240498

SCHEMBL11240498

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.68
▸ SHBG P04278 5/20 0.68
▸ PGR P06401 4/20 0.68
▸ NR3C1 P04150 3/20 0.68
▸ TSHR P16473 3/20 0.68
▸ CYP2C19 P33261 3/20 0.68
▸ ESR1 P03372 3/20 0.68
▸ HIF1A Q16665 2/20 0.68
▸ AR P10275 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ THRB P10828 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ CYP3A4 P08684 3/20 0.55
▸ ABCB11 O95342 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SLC6A4 P31645 2/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ CYP17A1 P05093 1/20 0.49
▸ ADRA1A P35348 2/20 0.47

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
SCHEMBL11240496 1.00 LMNA (0.68) LMNASHBGPGRNR3C1TSHR
SCHEMBL10444758 0.86 NR3C1 (0.50) LMNASHBGPGRNR3C1TSHR
SCHEMBL15079251 0.86 NR3C1 (0.50) LMNASHBGPGRNR3C1TSHR
SCHEMBL9128571 0.85 SHBG (0.65) LMNASHBGPGRNR3C1TSHR
SCHEMBL9128581 0.85 SHBG (0.65) LMNASHBGPGRNR3C1TSHR
SCHEMBL10605027 0.84 LMNA (0.48) LMNASHBGPGRNR3C1TSHR
SCHEMBL11236389 0.82 CYP3A4 (0.59) LMNASHBGPGRNR3C1TSHR
SCHEMBL11236392 0.82 CYP3A4 (0.59) LMNASHBGPGRNR3C1TSHR
SCHEMBL13965592 0.81 LMNA (0.67) LMNASHBGPGRNR3C1TSHR
SCHEMBL572198 0.81 LMNA (0.67) LMNASHBGPGRNR3C1TSHR

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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