SCHEMBL7785604

SCHEMBL7785604

O=C(Cl)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
SRD5A2 P31213 1/20 0.66
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MYOC Q99972 1/20 0.58
HSPB1 P04792 1/20 0.58
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
CES1 P23141 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 2/20 0.52
PKM P14618 1/20 0.51
MMP13 P45452 1/20 0.51

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
4-Nitrobenzoyl Chloride SCHEMBL28873526 0.89 ALDH1A1 (1.00) ALDH1A1SRD5A2KMT2AMEN1MAPK1
4-Nitrobenzoyl Chloride SCHEMBL43141 0.89 ALDH1A1 (1.00) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL9068673 0.88 MEN1 (0.74) ALDH1A1SRD5A2KMT2AMEN1MAPK1
4-Nitrobenzoyl Chloride SCHEMBL5400755 0.87 ALDH1A1 (0.96) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL9742737 0.86 ALDH1A1 (0.58) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL10943864 0.85 SRD5A2 (0.87) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL11601386 0.84 KDM4E (0.76) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL6623045 0.84 SRD5A2 (0.90) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL28561063 0.84 SRD5A2 (0.90) ALDH1A1SRD5A2KMT2AMEN1MAPK1
SCHEMBL3032088 0.83 ALDH1A1 (0.88) ALDH1A1SRD5A2MAPK1POLBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850913-B1 Polyalkyl esters of substituted polyphenyl ethers and fuel compositions containing the same CHEVRON CHEM CO (US) 2001-10-31 EP disclosed
EP-0850918-B1 Poly(oxyalkylene) esters of substituted polyphenylethers and fuel compositions containing the same CHEVRON CHEM CO (US) 2001-10-31 EP disclosed
EP-0850918-A1 Poly(oxyalkylene) esters of substituted polyphenylethers and fuel compositions containing the same Chevron Chemical Company LLC (US) 1998-07-01 EP disclosed
EP-0850913-A1 Polyalkyl esters of substituted polyphenyl ethers and fuel compositions containing the same Chevron Chemical Company LLC (US) 1998-07-01 EP disclosed
US-5728182-A HYDROFORMYLATED AND CARBOXYLIC ACID OF SUBSTITUTED POLYPHENYL ETHER MODIFIED POLYOLEFIN TO REDUCE DEPOSIT IN AN INTERNAL COMBUSTION ENGINE CHEVRON CHEMICAL COMPANY (US) 1998-03-17 US disclosed
US-5709719-A OIL ADDITIVE; ANTIDEPOSIT AGENT CHEVRON CHEMICAL COMPANY (US) 1998-01-20 US disclosed
EP-0203607-B1 BENZOIC-ACID ESTERS, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE CONTROL OF PARASITES BASF Aktiengesellschaft (DE) 1988-08-31 EP disclosed
EP-0203607-A1 Benzoic-acid esters, processes for their preparation and their use in the control of parasites BASF Aktiengesellschaft (DE) 1986-12-03 EP disclosed