SCHEMBL6535594

SCHEMBL6535594

C=C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.56
▸ SHBG P04278 3/20 0.53
▸ SERPINA6 P08185 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ PGR P06401 2/20 0.48
▸ NR3C1 P04150 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ NR3C2 P08235 1/20 0.47
▸ AR P10275 1/20 0.47
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL922877 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13216466 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL26425075 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11977689 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL19608861 0.79 CYP19A1 (0.66) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL6301574 0.77 CYP19A1 (0.56) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL4013306 0.77 CYP19A1 (0.56) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9116613 0.77 CYP19A1 (0.60) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11884335 0.76 CYP19A1 (0.50) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9543840 0.76 CYP19A1 (0.55) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042352-A4 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RES TRIANGLE INST (US) 2004-12-22 — — EP claimed
EP-1042352-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 2000-10-11 — — EP claimed
WO-1999026962-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RESEARCH TRIANGLE INSTITUTE (US) 1999-06-03 — — WO claimed
EP-1090029-A1 14,15-CYCLOPROPANOSTEROIDS OF THE 19-NORANDROSTANE SERIES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Jenapharm GmbH & Co. KG (DE) 2001-04-11 — — EP disclosed
WO-1999067276-A1 14,15-CYCLOPROPANOSTEROIDS OF THE 19-NORANDROSTANE SERIES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS JENAPHARM GMBH & CO. KG (DE) 1999-12-29 — — WO disclosed
Send feedback