SCHEMBL18902133

SCHEMBL18902133

O=Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.61
KEAP1 Q14145 1/20 0.59
FFAR4 Q5NUL3 4/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P4HTM Q9NXG6 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL69746 0.84 FFAR1 (0.81) FFAR1KEAP1FFAR4CA1CA2
Hydrochloric Acid SCHEMBL25264643 0.82 FFAR1 (0.77) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL25921854 0.82 ALDH1A1 (0.59) FFAR1KEAP1LMNAMAPK1SLC6A3
SCHEMBL18618563 0.82 CAPN1 (0.47) FFAR1KEAP1CA1CA2LMNA
SCHEMBL10076767 0.78 CA2 (0.58) FFAR1CA2LMNA
SCHEMBL14066660 0.78 FFAR1 (0.87) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL3533619 0.78 FFAR1 (0.87) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL11424035 0.78 FFAR1 (0.71) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL13754584 0.77 FFAR1 (0.53) FFAR1KEAP1FFAR4CA1CA2
SCHEMBL1094429 0.77 P2RY6 (0.66) FFAR1KEAP1FFAR4CA1CA2

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
EP-3380120-B1 IMMUNOSTIMULATORY COMPOSITIONS HOPITAUX PARIS ASSIST PUBLIQUE (FR) 2021-04-21 EP disclosed
EP-3004053-B1 A PROCESS FOR PREPARATION OF PYRROLES HAVING HYPOLIPIDEMIC HYPOCHOLESTEREMIC ACTIVITIES CADILA HEALTHCARE LTD (IN) 2021-03-24 EP disclosed
WO-2017089529-A1 IMMUNOSTIMULATORY COMPOSITIONS ASSISTANCE PUBLIQUE - HOPITAUX DE PARIS (FR) 2017-06-01 WO disclosed
EP-3173098-A1 IMMUNOSTIMULATORY COMPOSITIONS ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2017-05-31 EP disclosed