SCHEMBL9715720

SCHEMBL9715720

C=C(c1ccccc1)c1ccccc1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NR4A2 P43354 1/20 0.46
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
FOLH1 Q04609 1/20 0.44
FFAR1 O14842 3/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42

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
SCHEMBL4893531 0.84 AKR1C3 (0.52) KEAP1NR4A2PTGER1PTGER4PTGER3
SCHEMBL6442157 0.82 CES2 (0.50) KEAP1NR4A2PTGER1PTGER4PTGER3
SCHEMBL28201987 0.82 AKR1C3 (0.50) KEAP1NR4A2PTGER1PTGER4PTGER3
SCHEMBL29062 0.81 FOLH1 (0.66) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL59198 0.78 KEAP1 (0.65) KEAP1NR4A2PTGER1PTGER4PTGER3
SCHEMBL6546959 0.78 RXRA (0.43) FOLH1ALDH1A1LMNAMAPTHTT
SCHEMBL9806368 0.78 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL7575004 0.78 ALDH1A1 (0.53) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL17871919 0.78 KEAP1 (0.50) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL9717363 0.77 FOLH1 (0.40) NR4A2FOLH1ALDH1A1LMNAMAPK1

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
JP-1013052-A None JP disclosed
JP-1013052-A None JP disclosed
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
JP-S6413052-A PRODUCTION OF ((1-PHENYLETHENYL) PHENYL) PROPIONIC ACID AND/OR ITS ESTER NIPPON PETROCHEMICALS CO LTD 1989-01-17 JP disclosed
JP-S6413052-A PRODUCTION OF ((1-PHENYLETHENYL) PHENYL) PROPIONIC ACID AND/OR ITS ESTER NIPPON PETROCHEMICALS CO LTD 1989-01-17 JP disclosed