SCHEMBL7795449

SCHEMBL7795449

CC#C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.48
NR3C1 P04150 4/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP2C19 P33261 3/20 0.48
PGR P06401 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HIF1A Q16665 3/20 0.48
TSHR P16473 2/20 0.48
THRB P10828 1/20 0.48
ESR1 P03372 1/20 0.48
AR P10275 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
SERPINA6 P08185 3/20 0.47
HSD17B10 Q99714 2/20 0.47
BLM P54132 2/20 0.47
CYP3A4 P08684 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
SCHEMBL6707178 0.90 CYP19A1 (0.58) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL3507483 0.85 SHBG (0.67) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL3507486 0.85 SHBG (0.67) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL10959915 0.84 SHBG (0.65) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL10959929 0.84 SHBG (0.65) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL6707062 0.79 CYP3A4 (0.47) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL7793947 0.79 CYP19A1 (0.55) SHBGNR3C1LMNASMN1; SMN2CYP2C19
SCHEMBL6839221 0.75 PGR (0.51) NR3C1LMNAPGRMEN1KMT2A
SCHEMBL10961041 0.75 SHBG (0.64) SHBGNR3C1LMNASMN1; SMN2CYP2C19
Potassium Ion SCHEMBL10959922 0.75 TDP1 (0.67) SHBGNR3C1LMNASMN1; SMN2CYP2C19

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-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed
EP-0237397-B1 STEROIDS SATURATED IN 9(11) AND SUBSTITUTED IN POSITION 10 BY A RADICAL CONTAINING A TRIPLE BOND, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1990-02-07 EP claimed
US-4987128-A ANTIALDOSTERONES, NATRIURETICS ROUSSEL UCLAF (FR) 1991-01-22 US disclosed