SCHEMBL874928

SCHEMBL874928

C[C@]12CC[C@@H]3[C@@H](CCC4CC(=O)C=C[C@@]43C=O)[C@@H]1CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.52
AKR1B10 O60218 2/20 0.52
AKR1B1 P15121 2/20 0.52
OR51E2 Q9H255 1/20 0.52
SRD5A2 P31213 1/20 0.47
LMNA P02545 5/20 0.47
CYP3A4 P08684 4/20 0.47
GPBAR1 Q8TDU6 4/20 0.47
SHBG P04278 4/20 0.47
SERPINA6 P08185 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B3 P37058 3/20 0.47
PMP22 Q01453 3/20 0.47
TSHR P16473 2/20 0.47
G6PD P11413 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 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
SCHEMBL17209915 1.00 CYP19A1 (0.52) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL11325069 0.86 CYP19A1 (0.48) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL11325071 0.86 CYP19A1 (0.48) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL12857149 0.84 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL1287860 0.84 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL2186022 0.84 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL9512557 0.84 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
SCHEMBL1287861 0.84 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
Water SCHEMBL27940020 0.82 CYP19A1 (0.54) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2
Hydrogen Peroxide SCHEMBL27824496 0.81 CYP19A1 (0.53) CYP19A1AKR1B10AKR1B1OR51E2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173888-B1 Treatment and inhibition of protozoal diseases with nandrolone and its derivatives BAYDOUN ELIAS (LB) 2015-11-03 US disclosed
EP-2619306-B1 SURFACE DISPLAY OF POLYPEPTIDES CONTAINING A METAL PORPHYRIN OR A FLAVIN AUTODISPLAY BIOTECH GMBH (DE) 2015-05-20 EP disclosed
US-20140011706-A1 SURFACE DISPLAY OF POLYPEPTIDES CONTAINING A METAL PORPHYRIN OR A FLAVIN AUTODISPLAY BIOTECH GMBH (DE) 2014-01-09 US disclosed
EP-2619306-A1 SURFACE DISPLAY OF POLYPEPTIDES CONTAINING A METAL PORPHYRIN OR A FLAVIN Autodisplay Biotech GmbH (DE) 2013-07-31 EP disclosed
WO-2012038508-A1 SURFACE DISPLAY OF POLYPEPTIDES CONTAINING A METAL PORPHYRIN OR A FLAVIN AUTODISPLAY BIOTECH GMBH (DE) 2012-03-29 WO disclosed
EP-1373571-B1 FUNCTIONAL SURFACE DISPLAY OF POLYPEPTIDES UNIV DES SAARLANDES WISSENS UN (DE) 2006-11-22 EP disclosed
US-20040259151-A1 Functional surface display of polypeptides ZYRUS BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE I KG (DE) 2004-12-23 US disclosed
EP-1373571-A2 FUNCTIONAL SURFACE DISPLAY OF POLYPEPTIDES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-01-02 EP disclosed
WO-2002070645-A2 FUNCTIONAL SURFACE DISPLAY OF POLYPEPTIDES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2002-09-12 WO disclosed