SCHEMBL7737488

SCHEMBL7737488

CCCCOc1c(-c2ccccc2)cc(CCC(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
CNR2 P34972 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CHEK1 O14757 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL7735710 0.95 ALDH1A1 (0.45) PTPN1ALDH1A1MAPTTDP1AKR1C3
SCHEMBL7734876 0.91 THRA (0.47) ALDH1A1MAPTTDP1AKR1C3AKR1C2
SCHEMBL7734073 0.88 ALDH1A1 (0.43) ALDH1A1MAPTTDP1AKR1C3AKR1C2
SCHEMBL27627101 0.88 CCNC (0.46) PTPN1ALDH1A1TDP1LMNACNR2
SCHEMBL3893514 0.84 CCNC (0.46) PTPN1ALDH1A1MAPT
SCHEMBL7737564 0.83 PTPN1 (0.45) PTPN1AKR1C3KMT2AMEN1CNR2
SCHEMBL27406924 0.83 LTB4R (0.41) ALDH1A1MAPTTDP1AKR1C3AKR1C2
SCHEMBL27627098 0.82 CCNC (0.46) PTPN1ALDH1A1MAPTLMNAKMT2A
SCHEMBL7735167 0.82 THRA (0.44) PTPN1ALDH1A1TDP1KMT2AMEN1
SCHEMBL7735380 0.81 PTPN1 (0.44) PTPN1ALDH1A1AKR1C3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103332-C Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2003-03-19 CN disclosed
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
CN-1276778-A Biphenyl-5-alkanoic acid derivs. and use thereof ASAHI CHEMICAL IND (JP) 2000-12-13 CN disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed