SCHEMBL5311341

SCHEMBL5311341

C[C@]12C=CCCC1=CC[C@H]1[C@@H]3CCC[C@@]3(C(O)(O)O)CC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
SERPINA6 P08185 1/20 0.33
GUSB P08236 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TSHR P16473 1/20 0.33
ABCC4 O15439 1/20 0.32

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
SCHEMBL7523457 0.82 CYP19A1 (0.52) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL5308814 0.79 CYP19A1 (0.39) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL5494156 0.79 CYP19A1 (0.35) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL1418485 0.77 CYP19A1 (0.60) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL9622002 0.76 OSBP (0.45) CYP19A1LMNASHBGSERPINA6G6PD
SCHEMBL1419459 0.76 SHBG (0.43) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL5575291 0.75 SRD5A2 (0.35) CYP19A1
SCHEMBL16011818 0.75 MAPT (0.43) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL16011817 0.75 MAPT (0.43) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL5308813 0.75 CYP19A1 (0.59) CYP19A1SHBGSERPINA6

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-1807118-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2007-07-18 EP disclosed
WO-2007030124-A2 TREATMENT SCREENING METHODS HOLLIS-EDEN PHARMACEUTICALS, INC (US) 2007-03-15 WO disclosed
WO-2006110172-A2 STEROID ANALOGS AND CHARACTERIZATION AND TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS.INC. (US) 2006-10-19 WO disclosed