SCHEMBL6575501

SCHEMBL6575501

CCCCOc1ccc(OC(=O)Oc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
PLA2G4B P0C869 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FAAH O00519 1/20 0.55
LTA4H P09960 1/20 0.55
NR5A1 Q13285 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PDE4A P27815 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL898713 0.96 TP53 (0.64) TP53TSHRNPC1LMNACYP1A2
SCHEMBL5706031 0.93 LTA4H (0.65) TP53TSHRPLA2G4BFAAHLTA4H
SCHEMBL10710134 0.91 FAAH (0.68) TP53TSHRNPC1LMNACYP1A2
SCHEMBL10708325 0.89 THRB (0.56) LMNACYP1A2CYP2D6CYP3A4SMN1; SMN2
SCHEMBL10709087 0.88 FAAH (0.54) TP53TSHRNPC1LMNACYP1A2
SCHEMBL5705994 0.88 FAAH (0.70) TP53TSHRNPC1LMNAPLA2G4B
SCHEMBL27309251 0.88 TP53 (0.59) TP53TSHRNPC1LMNACYP1A2
SCHEMBL10707014 0.88 FAAH (0.65) TP53TSHRNPC1LMNACYP1A2
SCHEMBL10711366 0.87 THRB (0.57) TP53TSHRNPC1LMNACYP1A2
SCHEMBL10708962 0.87 CYP1A1 (0.53) NPC1LMNACYP1A2CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412411-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-28 EP disclosed
WO-2003008481-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-01-30 WO disclosed
US-6491774-B2 Method for preparing an improved liquid crystal clinical thermometer MEDICAL INDICATORS, INC. 2002-12-10 US disclosed
US-20020074074-A1 Method for preparing an improved liquid crystal clinical thermometer MEDICAL INDICATORS, INC. 2002-06-20 US disclosed
US-6284078-B1 Method for preparing an improved liquid crystal clinical thermometer MEDICAL INDICATORS, INC. 2001-09-04 US disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed