SCHEMBL8370954

SCHEMBL8370954

CC#CC1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.41
▸ SHBG P04278 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SERPINA6 P08185 2/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL9948721 0.89 CYP19A1 (0.41) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9948623 0.83 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL6301569 0.82 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL3356889 0.82 CYP19A1 (0.44) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL4945163 0.82 SHBG (0.48) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL9947828 0.81 CYP19A1 (0.42) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL6244893 0.77 SERPINA6 (0.41) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL10449145 0.77 CYP19A1 (0.39) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL11977689 0.77 CYP19A1 (0.66) CYP19A1SHBGALDH1A1SERPINA6SLC22A1
SCHEMBL922877 0.77 CYP19A1 (0.66) CYP19A1SHBGALDH1A1SERPINA6SLC22A1

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-0892641-A1 USES OF ANTI-GLUCOCORTICOID COMPOUNDS FOR THE TREATMENT OF PSYCHOSES OR ADDICTIVE BEHAVIOURS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-01-27 — — EP claimed
WO-1998026783-A1 USES OF ANTI-GLUCOCORTICOID COMPOUNDS FOR THE TREATMENT OF PSYCHOSES OR ADDICTIVE BEHAVIOURS HOECHST MARION ROUSSEL (FR) 1998-06-25 — — WO claimed
WO-1983003099-A1 3-KETO-DELTA 4,9-19-NORSTEROIDS ROUSSEL UCLAF (FR) 1983-09-15 — — WO disclosed
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