SCHEMBL5493317

SCHEMBL5493317

C[C@]12CCCCC1=CC[C@H]1[C@@H]3CCC[C@@]3(CF)CC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.60
CYP1B1 Q16678 1/20 0.57
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
SERPINA6 P08185 1/20 0.40
GUSB P08236 1/20 0.40
CYP3A4 P08684 1/20 0.40
G6PD P11413 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4448216 0.89 CYP19A1 (0.61) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL9939642 0.88 CYP19A1 (0.60) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL29561383 0.84 CYP19A1 (0.56) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL5308575 0.82 CYP19A1 (0.60) CYP19A1
SCHEMBL30881329 0.82 CYP19A1 (0.57) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL514563 0.82 CYP19A1 (0.54) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL7475337 0.81 CYP19A1 (0.55) CYP19A1CYP1B1CYP3A4
SCHEMBL32677703 0.80 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL606825 0.80 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL4885211 0.80 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG

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-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 EP claimed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 EP claimed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 WO claimed