SCHEMBL9879883

SCHEMBL9879883

C=CCc1ccc(-c2cccc(C(=O)C(=O)c3ccccc3)c2-c2ccc(CC=C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.41
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
HNF4A P41235 1/20 0.37
LPAR1 Q92633 2/20 0.36
PTGS2 P35354 1/20 0.36
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
AKR1B1 P15121 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TPH1 P17752 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9879882 0.82 LTB4R2 (0.41) LTB4R2MEN1CYP3A4KMT2AAKR1B1
SCHEMBL3806469 0.82 HNF4A (0.53) MEN1KMT2AL3MBTL1CES2CES1
SCHEMBL8731770 0.78 LTB4R2 (0.54) LTB4R2LPAR1AGTR1
SCHEMBL9864618 0.75 MAPT (0.40) MEN1KMT2ACES2CES1HNF4A
SCHEMBL9420294 0.74 CYP1A2 (0.44) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL8734298 0.74 BCAT2 (0.59) LTB4R2GPR52
SCHEMBL10524160 0.72 CYP1A2 (0.47) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL3265791 0.71 CES2 (0.48) CYP3A4CES2CES1POLBMAPT
SCHEMBL8802313 0.70 LTB4R2 (0.44) LTB4R2CES2CES1LPAR1AGTR1
SCHEMBL15407028 0.70 AKR1B1 (0.38) MEN1CYP3A4KMT2APTGS2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049290-A Oil additives EXXON CHEMICAL PATENTS INC. (US) 1991-09-17 US disclosed
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP disclosed
US-4915857-A Amine compatibility aids in lubricating oil compositions EXXON CHEMICAL PATENTS INC. (US) 1990-04-10 US disclosed