SCHEMBL10940211

SCHEMBL10940211

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(O)C(=O)CC[C@]4(CO)[C@H]3CC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.62
CYP3A4 P08684 5/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
BRCA1 P38398 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
NR1I2 O75469 1/20 0.46
NR3C1 P04150 1/20 0.46
CYP17A1 P05093 1/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL10940216 1.00 CYP19A1 (0.62) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL11425160 0.90 CYP19A1 (0.62) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL11425163 0.90 CYP19A1 (0.62) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL3102365 0.89 CYP3A4 (0.59) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL3102374 0.89 CYP3A4 (0.59) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL11230035 0.80 CYP19A1 (0.72) CYP19A1CYP3A4LMNAMEN1MAPK1
SCHEMBL11640618 0.80 CYP19A1 (0.72) CYP19A1CYP3A4LMNAMEN1MAPK1
SCHEMBL11230040 0.80 CYP19A1 (0.72) CYP19A1CYP3A4LMNAMEN1MAPK1
SCHEMBL11821082 0.80 SHBG (0.68) CYP19A1CYP3A4LMNAMEN1ALOX15
SCHEMBL11430632 0.80 CYP3A4 (0.58) CYP19A1CYP3A4LMNAMEN1ALOX15

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
US-4546098-A ANTIESTROGENS; HORMONE INHIBITORS THE ROCKEFELLER UNIVERSITY (US) 1985-10-08 US disclosed