SCHEMBL9629682

SCHEMBL9629682

CCCCOCC(O)COCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PLA2G2C Q5R387 1/20 0.48
FFAR4 Q5NUL3 2/20 0.46
FFAR1 O14842 2/20 0.46
AKR1B1 P15121 1/20 0.43
PLA2G4B P0C869 1/20 0.43
GPR84 Q9NQS5 6/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 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
SCHEMBL9628902 0.93 USP2 (0.61) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL9629974 0.93 USP2 (0.61) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL9629705 0.87 FFAR4 (0.53) USP2CYP1A2CYP3A4CYP2C19LPAR5
Dibuprol SCHEMBL28606067 0.86 USP2 (0.55) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL9629721 0.86 FFAR4 (0.61) USP2LPAR5HTTALDH1A1ALOX15
SCHEMBL9629713 0.86 FFAR4 (0.61) USP2LPAR5HTTALDH1A1ALOX15
SCHEMBL9629670 0.86 USP2 (0.61) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL9630845 0.86 USP2 (0.61) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL9630860 0.85 USP2 (0.50) USP2CYP1A2CYP3A4CYP2C19LPAR5
SCHEMBL14980032 0.85 KDM4E (0.50) USP2CYP1A2CYP3A4CYP2C19LPAR5

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
EP-0302007-B1 HYDROXYETHER-CARBOXYLIC ACIDS AND LACTONES THEREOF, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-5055230-A Coating a metal surface with an aqueous system CIBA-GEIGY CORPORATION (US) 1991-10-08 US disclosed
EP-0302007-A1 Hydroxyether-carboxylic acids and lactones thereof, process for their production and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1989-02-01 EP disclosed