SCHEMBL9629683

SCHEMBL9629683

CCCCC(O)COCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
FAAH O00519 1/20 0.39
PAM P19021 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9629741 0.93 GPR84 (0.59) GPR84FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL9628865 0.93 GPR84 (0.59) GPR84FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL9629135 0.93 GPR84 (0.59) GPR84FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL6561865 0.93 GPR84 (0.59) GPR84FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL9630860 0.83 USP2 (0.50) GPR84CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL30711121 0.82 GPR84 (0.51) GPR84FFAR1FFAR4FAAHPAM
SCHEMBL31374655 0.82 GPR84 (0.51) GPR84FFAR1FFAR4FAAHPAM
SCHEMBL30711092 0.81 KDM4C (0.42) GPR84FFAR1FFAR4FAAH
SCHEMBL9629705 0.81 FFAR4 (0.53) GPR84FFAR1FFAR4CYP1A2CYP3A4
SCHEMBL7555584 0.81 USP2 (0.48) GPR84FFAR1FFAR4CYP1A2CYP3A4

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