SCHEMBL5319983

SCHEMBL5319983

CCC(C)c1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1O.CCCCCCCCOc1ccc(-n2nc3ccccc3n2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.35
CNR2 P34972 7/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RORC P51449 1/20 0.33
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
PTPN11 Q06124 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR1 P21554 3/20 0.32

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
SCHEMBL8227290 0.87 NR5A1 (0.38) NR5A1CNR2GPBAR1CYSLTR2CYSLTR1
SCHEMBL78803 0.84 NPC1 (0.45) KDM4ENPC1RAB9ARORCLMNA
SCHEMBL29463599 0.84 NPC1 (0.45) KDM4ENPC1RAB9ARORCLMNA
SCHEMBL5445426 0.83 NR5A1 (0.50) NR5A1CNR2GPBAR1KDM4ECYSLTR2
SCHEMBL45837 0.83 NR5A1 (0.50) NR5A1CNR2GPBAR1KDM4ECYSLTR2
SCHEMBL9744615 0.83 NR5A1 (0.50) NR5A1CNR2GPBAR1KDM4ECYSLTR2
SCHEMBL13370102 0.83 NR5A1 (0.50) NR5A1CNR2GPBAR1KDM4ECYSLTR2
SCHEMBL10576610 0.82 NPC1 (0.38) KDM4ENPC1RAB9ARORCLMNA
SCHEMBL29463600 0.80 GPBAR1 (0.46) NR5A1GPBAR1KDM4ECYSLTR2CYSLTR1
SCHEMBL7141357 0.80 GPBAR1 (0.46) NR5A1GPBAR1KDM4ECYSLTR2CYSLTR1

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-3786216-A1 PROCESSING ADDITIVES AND USES OF SAME IN ROTATIONAL MOLDING Cytec Technology Corp. (US) 2021-03-03 EP disclosed
CN-108495888-B Additive mixture for stabilizing polyols and polyurethanes 巴斯夫欧洲公司 2021-03-02 CN disclosed
EP-1532195-B1 METHOD OF UNIFORMLY DISTRIBUTING A SUBSTANCE IN A SUBSTRATE CLARIANT PRODUKTE DEUTSCHLAND (DE) 2007-11-14 EP disclosed
US-20050129852-A1 Fluorinated photoinitiators in highly fluorinated monomers CIBA SPECIALTY CHEMICALS CORP. 2005-06-16 US disclosed
US-6369267-B1 RADIATION RESISTANCE TO ULTRAVIOLET RADIATION CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-09 US disclosed
US-6214929-B1 FREE RADICAL POLYMERIZATION OF AN ETHYLENICALLY UNSATURATED MONOMER BASF AKTIENGESELLSCAFT (DE) 2001-04-10 US disclosed
US-5369159-A Heat, oxidation and radiation resistance for polymers CIBA-GEIGY CORPORATION (US) 1994-11-29 US disclosed