SCHEMBL7707046

SCHEMBL7707046

CCCCc1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
PPARA Q07869 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PSMB5 P28074 1/20 0.41
HSD11B1 P28845 1/20 0.40
SOAT1 P35610 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL11296057 0.94 LIPG (0.49) DPP4PPARAPDCD1CD274CA12
Bicarbonate SCHEMBL1835179 0.93 PPARA (0.48) PPARAPDCD1CD274SOAT1KMT2A
SCHEMBL9715336 0.93 LIPG (0.51) PPARALIPGNR1H2NR1H3SOAT1
SCHEMBL367335 0.92 DPP4 (0.52) DPP4PPARAPDCD1CD274CA12
Phosphine SCHEMBL27508763 0.91 LIPG (0.50) PPARALIPGNR1H2NR1H3SOAT1
Hydrogen Sulfide SCHEMBL27779551 0.91 LIPG (0.50) PPARALIPGNR1H2NR1H3SOAT1
Phosphine SCHEMBL27550721 0.90 DPP4 (0.50) DPP4PPARAPDCD1CD274CA12
SCHEMBL28825457 0.90 DPP4 (0.50) DPP4PPARAPDCD1CD274CA12
SCHEMBL27424929 0.90 DPP4 (0.50) DPP4PPARAPDCD1CD274CA12
Ethane SCHEMBL1275986 0.90 DPP4 (0.50) DPP4PPARAPDCD1CD274CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105238360-A Refrigerator working fluid composition and refrigerant oil JX NIPPON OIL & ENERGY CORP 2016-01-13 CN claimed
CN-104204163-A Working fluid composition for refrigerator and refrigerator oil JX NIPPON OIL & ENERGY CORP 2014-12-10 CN claimed
US-20120288752-A1 ADDITIVE FOR OVERCHARGE PREVENTING OF SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY INCLUDING THE SAME SAMSUNG CORNING PRECISION MATERIALS CO., LTD. 2012-11-15 US claimed
EP-2523247-A1 Additive for overcharge preventing of secondary battery and non-aqueous electrolyte for secondary battery including the same Samsung Corning Precision Materials Co., Ltd. (KR) 2012-11-14 EP claimed
CN-111269424-A Polysiloxane compound, preparation method and application thereof 北京化工大学 2020-06-12 CN disclosed
CN-110494536-A Refrigerator oil and composition used for refrigerator IDEMITSU KOSAN CO 2019-11-22 CN disclosed
CN-105238360-A Refrigerator working fluid composition and refrigerant oil JX NIPPON OIL & ENERGY CORP 2016-01-13 CN disclosed
CN-104204163-A Working fluid composition for refrigerator and refrigerator oil JX NIPPON OIL & ENERGY CORP 2014-12-10 CN disclosed
CN-101568627-A Lubricating oil composition SHELL INT RESEARCH (JP) 2009-10-28 CN disclosed
EP-1183318-A1 CHEMILUMINESCENT COMPOSITION CONTAINING PHOSPHATE ESTER Ferro (Belgium) SPRL (BE) 2002-03-06 EP disclosed
WO-2000063319-A1 CHEMILUMINESCENT COMPOSITION CONTAINING PHOSPHATE ESTER FERRO (BELGIUM) SPRL (BE) 2000-10-26 WO disclosed
EP-1045018-A1 Chemiluminescent composition containing phosphate ester Solutia Europe N.V./S.A. (BE) 2000-10-18 EP disclosed