SCHEMBL20171778

SCHEMBL20171778

COCCCc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
RXFP1 Q9HBX9 2/20 0.61
MEN1 O00255 1/20 0.61
MIF P14174 1/20 0.61
KMT2A Q03164 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
ERAP1 Q9NZ08 1/20 0.61
MAOB P27338 5/20 0.59
ACHE P22303 5/20 0.57
MAOA P21397 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2168286 0.89 NPC1 (0.66) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL22024384 0.89 ACHE (0.48) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL18773627 0.89 NPC1 (0.57) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL18558980 0.88 NPC1 (0.61) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL19624008 0.86 NPC1 (0.56) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL18699560 0.86 NPC1 (0.48) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL20172076 0.86 RXFP1 (0.59) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL18869362 0.86 NPC1 (0.56) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL21589213 0.85 NPC1 (0.55) NPC1RAB9ARXFP1MEN1MIF
SCHEMBL18473063 0.85 NPC1 (0.55) NPC1RAB9ARXFP1MEN1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489329-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2022-01-12 EP disclosed
EP-3521401-B1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 EP disclosed
EP-3521401-A1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA Merck Patent GmbH (DE) 2019-08-07 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed
WO-2019110458-A1 LIQUID-CRYSTALLINE MEDIUM FOR USE IN A SWITCHING ELEMENT MERCK PATENT GMBH (DE) 2019-06-13 WO disclosed
EP-3067406-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed
EP-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 EP disclosed