SCHEMBL10605063

SCHEMBL10605063

C#C[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C(C)C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.60
▸ NR3C1 P04150 3/20 0.51
▸ SHBG P04278 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PGR P06401 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ AR P10275 1/20 0.51
▸ SERPINA6 P08185 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL10605039 0.84 SHBG (0.71) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL11022317 0.77 CYP19A1 (0.56) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL11020428 0.77 AR (0.61) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL8209314 0.76 CYP19A1 (1.00) CYP19A1SHBGLMNASMN1; SMN2TSHR
SCHEMBL7736116 0.76 CYP19A1 (1.00) CYP19A1SHBGLMNASMN1; SMN2TSHR
SCHEMBL7736120 0.76 CYP19A1 (1.00) CYP19A1SHBGLMNASMN1; SMN2TSHR
SCHEMBL10603375 0.76 LMNA (0.71) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL10603160 0.76 LMNA (0.71) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL9640298 0.74 SMN1; SMN2 (0.71) CYP19A1NR3C1SHBGCYP2C19MEN1
SCHEMBL11021243 0.74 CYP3A4 (0.73) CYP19A1NR3C1SHBGMEN1LMNA

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
EP-0152429-B1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1989-10-11 — — EP disclosed
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