SCHEMBL9405799

SCHEMBL9405799

CCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(CCCCCCC)cc3F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.54
FAAH O00519 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL9475541 1.00 RARB (0.54) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL20594544 0.97 FAAH (0.54) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL9405912 0.97 FAAH (0.54) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL19789523 0.96 RARB (0.50) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL10340804 0.94 NPC1 (0.57) FAAHSMN1; SMN2NPC1LMNANFKB1
SCHEMBL11227878 0.94 FAAH (0.56) FAAHSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9641396 0.94 RARB (0.53) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL9640193 0.94 RARB (0.53) RARBFAAHSMN1; SMN2NPC1LMNA
SCHEMBL9640217 0.91 RARB (0.53) RARBSMN1; SMN2MAPTRARARARG
SCHEMBL9641079 0.91 RARB (0.53) RARBSMN1; SMN2MAPTRARARARG

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0391986-B1 DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
US-5198149-A 2,3-Difluoro-p-Phenylene Group MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-30 US disclosed
US-5182047-A FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-26 US disclosed
EP-0368975-B1 FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK PATENT GmbH (DE) 1992-12-16 EP disclosed
EP-0332007-B1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1992-11-25 EP disclosed
US-5116527-A Liquid crystal mixture of two chiral components and one non-chiral componene MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-26 US disclosed
EP-0373186-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1990-06-20 EP disclosed
EP-0368975-A1 FLUORINATED BIPHENYLDIOLE DERIVATIVES. MERCK PATENT GMBH (DE) 1990-05-23 EP disclosed
EP-0357702-A1 FLUORINATED OLIGOPHENYL DERIVATIVES. MERCK PATENT GMBH (DE) 1990-03-14 EP disclosed
WO-1989012039-A1 FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-12-14 WO disclosed
WO-1989011451-A1 DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-30 WO disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
WO-1989006678-A1 FLUORINATED OLIGOPHENYL DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-07-27 WO disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 WO disclosed