SCHEMBL671350

SCHEMBL671350

OCC1CCC(C(O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.35
ESR2 Q92731 6/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.31
APLNR P35414 1/20 0.31

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
SCHEMBL760536 0.81 APLNR (0.35) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL130642 0.78 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL2267415 0.78 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL4610 0.78
SCHEMBL27912 0.78 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL297828 0.78 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL1316560 0.78 ESR2 (0.46) ESR1ESR2CYP3A4CYP2C9CYP2D6
SCHEMBL3182655 0.78
SCHEMBL8910860 0.78 TP53 (0.30)
SCHEMBL158458 0.76 APLNR (0.35) ESR1ESR2CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
EP-2596082-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS Merck Patent GmbH (DE) 2013-05-29 EP disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed