SCHEMBL4619435

SCHEMBL4619435

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.40
MBOAT4 Q96T53 2/20 0.38
AKR1B10 O60218 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
SERPINA6 P08185 1/20 0.36
GUSB P08236 1/20 0.36
CYP3A4 P08684 1/20 0.36
G6PD P11413 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8707336 0.78 MBOAT4 (0.39) CYP19A1MBOAT4MEN1LMNASHBG
SCHEMBL4619438 0.74 CYP19A1 (0.45) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL3112594 0.72 ESR1 (0.45) MEN1LMNASHBGSERPINA6GUSB
SCHEMBL3112585 0.72 ESR1 (0.45) MEN1LMNASHBGSERPINA6GUSB
SCHEMBL4152712 0.72 ESR1 (0.45) MEN1LMNASHBGSERPINA6GUSB
SCHEMBL9939636 0.72 CYP19A1 (0.46) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL5310140 0.69 CYP19A1 (0.43) CYP19A1MBOAT4AKR1B10SHBG
SCHEMBL6899626 0.69 SHBG (0.44) MEN1LMNASHBGSERPINA6GUSB
SCHEMBL15903344 0.69 CYP19A1 (0.55) CYP19A1MBOAT4LMNASHBGSERPINA6
SCHEMBL1847726 0.69 CYP19A1 (0.55) CYP19A1MBOAT4LMNASHBGSERPINA6

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