SCHEMBL9939636

SCHEMBL9939636

C[C@@]12CCC[C@H]1[C@@H]1CC=C3CCCC(O)[C@]3(C)[C@H]1CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
SHBG P04278 3/20 0.39
SERPINA6 P08185 2/20 0.39
ESR1 P03372 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GUSB P08236 1/20 0.39
CYP3A4 P08684 1/20 0.39
G6PD P11413 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4448208 0.85 CYP19A1 (0.41) CYP19A1
SCHEMBL5493306 0.84 CYP1B1 (0.42) CYP19A1SHBG
SCHEMBL27746078 0.83 CYP19A1 (0.40) CYP19A1SHBGSERPINA6MEN1LMNA
SCHEMBL4152712 0.82 ESR1 (0.45) SHBGSERPINA6ESR1ARESR2
SCHEMBL3112585 0.82 ESR1 (0.45) SHBGSERPINA6ESR1ARESR2
SCHEMBL3112594 0.82 ESR1 (0.45) SHBGSERPINA6ESR1ARESR2
SCHEMBL5308406 0.82 CYP19A1 (0.42) CYP19A1L3MBTL1SHBGSERPINA6ESR1
SCHEMBL7475323 0.80 TDP1 (0.44) CYP19A1MEN1CYP3A4KMT2A
SCHEMBL28188365 0.80 CYP19A1 (0.44) CYP19A1L3MBTL1SHBGSERPINA6ESR1
SCHEMBL20537122 0.80 CYP19A1 (0.47) CYP19A1L3MBTL1SHBGSERPINA6ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501374-B A method of recycling dehydroepiandros-sterone from dehydroepiandros-sterone mother liquor object 湖北竹溪人福药业有限责任公司 2019-05-07 CN disclosed
CN-106565807-B A kind of separation DHEA and its αisomer method 湖北竹溪人福药业有限责任公司 2018-03-13 CN disclosed
CN-107501374-A A kind of method that dehydroepiandros-sterone is reclaimed in the mother liquor thing from dehydroepiandros-sterone 湖北竹溪人福药业有限责任公司 2017-12-22 CN disclosed
CN-106565807-A Method for separating DHEA and alpha-isomers thereof 湖北竹溪人福药业有限责任公司 2017-04-19 CN disclosed
WO-2014137420-A1 RECEPTOR AND KINASE MODULATOR SCREENING METHODS Harbor Therapeutics, Inc. (US) 2014-09-12 WO disclosed
EP-2667876-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS Harbor BioSciences, Inc. (US) 2013-12-04 EP disclosed
WO-2012083090-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS HARBOR BIOSCIENCES, INC. (US) 2012-06-21 WO disclosed