SCHEMBL9542392

SCHEMBL9542392

CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C=C[C@]4(C)O)[C@H]2CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.41
AR P10275 5/20 0.41
CYP19A1 P11511 2/20 0.39
LMNA P02545 5/20 0.36
ESR1 P03372 3/20 0.36
SLC6A4 P31645 3/20 0.36
OPRM1 P35372 1/20 0.36
CYP3A4 P08684 3/20 0.34
ABCB11 O95342 3/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SHBG P04278 2/20 0.34
HIF1A Q16665 1/20 0.34
NR3C1 P04150 1/20 0.34
ADRA2A P08913 1/20 0.34
NR3C2 P08235 1/20 0.32
ALOX15 P16050 2/20 0.31
MAPT P10636 2/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL9541244 0.84 PDK1 (0.35) PGRARLMNAESR1SLC6A4
SCHEMBL9541221 0.79
SCHEMBL9541199 0.77 PGR (0.58) PGRARCYP19A1LMNAESR1
SCHEMBL9541157 0.77 PGR (0.47) PGRARCYP19A1LMNAESR1
SCHEMBL9124498 0.73 CYP3A4 (0.57) PGRCYP19A1CYP3A4TSHRALDH1A1
SCHEMBL9542447 0.71 PDK1 (0.59) PGRARCYP19A1LMNAESR1
SCHEMBL9362022 0.69 CYP19A1 (0.74) CYP19A1LMNACYP3A4TSHRALDH1A1
SCHEMBL9358060 0.69 SHBG (0.59) PGRARCYP19A1LMNAESR1
SCHEMBL9541932 0.68 CYP19A1 (0.38) PGRARCYP19A1LMNAESR1
SCHEMBL9541966 0.67 PDK1 (0.43) PGRARLMNAESR1SLC6A4

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
WO-1993013122-A1 3-METHYLSULPHONYLHYDRAZONO AND 3-OXYIMINO STEROIDS, A METHOD OF PREPARING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed