SCHEMBL11117579

SCHEMBL11117579

C#CC1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.67
CYP2C19 P33261 5/20 0.67
LMNA P02545 5/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
PGR P06401 4/20 0.67
SHBG P04278 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HIF1A Q16665 4/20 0.67
AR P10275 3/20 0.67
TSHR P16473 3/20 0.67
THRB P10828 1/20 0.67
ESR1 P03372 1/20 0.67
MAPT P10636 4/20 0.65
CYP3A4 P08684 4/20 0.65
ADORA3 P0DMS8 3/20 0.65
ADRA1A P35348 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
TBXA2R P21731 1/20 0.65

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
SCHEMBL11117577 1.00 NR3C1 (0.67) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL10938509 1.00 NR3C1 (0.67) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL9348215 0.90 LMNA (0.62) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL9348129 0.90 LMNA (0.62) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL9348134 0.90 LMNA (0.62) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL10821749 0.88 SHBG (0.63) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL10821748 0.88 SHBG (0.63) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL11319124 0.88 SHBG (0.71) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL10820974 0.88 LMNA (0.60) NR3C1CYP2C19LMNAMEN1KMT2A
SCHEMBL10820973 0.88 LMNA (0.60) NR3C1CYP2C19LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4440689-A Acyloxysteroids and process for producing same MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1984-04-03 US disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed