SCHEMBL17419461

SCHEMBL17419461

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 6/20 0.55
NR3C1 P04150 6/20 0.55
AR P10275 6/20 0.55
PGR P06401 5/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CHRM2 P08172 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
CHRM1 P11229 2/20 0.55
USP2 O75604 2/20 0.55
ABCB11 O95342 2/20 0.55
ABCC4 O15439 1/20 0.55
ESR1 P03372 1/20 0.55
SHBG P04278 1/20 0.55
NR3C2 P08235 1/20 0.55
HRH2 P25021 1/20 0.55
AKR1C3 P42330 1/20 0.55

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
SCHEMBL6564735 0.89 CYP3A4 (0.66) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL6564737 0.89 CYP3A4 (0.66) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL6564740 0.89 CYP3A4 (0.66) MEN1KMT2ACYP3A4NR3C1AR
Cismadinone SCHEMBL2111096 0.83 HIF1A (0.52) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL6449571 0.81 LMNA (0.65) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL6447018 0.81 LMNA (0.65) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL11753048 0.80 NR3C1 (0.80) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL11753058 0.80 NR3C1 (0.80) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL11206531 0.80 CYP3A4 (0.55) MEN1KMT2ACYP3A4NR3C1AR
SCHEMBL10810971 0.79 CYP3A4 (0.61) MEN1KMT2ACYP3A4NR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US claimed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO claimed
US-20160008376-A1 Compositions, Methods and Uses for Treating Gender-Biased Immune Disorders BIOCOPEA LIMITED (GB) 2016-01-14 US disclosed
WO-2016005599-A1 COMPOSITIONS, METHODS AND USES FOR TREATING GENDER-BIASED IMMUNE DISORDERS BIOCOPEA LIMITED (GB) 2016-01-14 WO disclosed