SCHEMBL4619438

SCHEMBL4619438

C[C@@]12CCC[C@H]1[C@@H]1CC=C3OC(=O)C(O)C[C@]3(C)[C@H]1CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.45
G6PD P11413 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
SERPINA6 P08185 1/20 0.38
GUSB P08236 1/20 0.38
CYP3A4 P08684 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8707338 0.78 CYP19A1 (0.46) CYP19A1G6PDMEN1LMNASHBG
SCHEMBL4619435 0.74 CYP19A1 (0.40) CYP19A1G6PDMEN1LMNASHBG
SCHEMBL5310140 0.72 CYP19A1 (0.43) CYP19A1SHBG
SCHEMBL28141770 0.71 CYP19A1 (0.48) CYP19A1G6PDMEN1LMNASHBG
SCHEMBL23155091 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6
SCHEMBL13076860 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6
SCHEMBL3366382 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6
SCHEMBL12310691 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6
SCHEMBL11970666 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6
SCHEMBL14149814 0.70 SHBG (0.64) G6PDMEN1LMNASHBGSERPINA6

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
EP-1890679-A2 STEROID KIT AND FOAMABLE COMPOSITION AND USES THEREOF Foamix Ltd. (IL) 2008-02-27 EP disclosed
WO-2007012977-A2 STEROID KIT AND FOAMABLE COMPOSITION AND USES THEREOF FOAMIX LTD (US) 2007-02-01 WO disclosed