SCHEMBL11247792

SCHEMBL11247792

O=CNc1cc(CCC(=O)O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.55
FFAR1 O14842 2/20 0.43
ADRB2 P07550 7/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
ADRB1 P08588 5/20 0.42
ADRB3 P13945 3/20 0.42
KEAP1 Q14145 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
IAPP P10997 1/20 0.41
DRD2 P14416 2/20 0.40
PGR P06401 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL11170458 0.84 KDM5A (0.58) KDM5AADRB2MAPK1ADRB1ADRB3
SCHEMBL6812666 0.81 KDM5A (0.50) KDM5AADRB2MAPK1ALOX15ADRB1
SCHEMBL7259369 0.81 ADRA2A (0.55) KDM5AADRB2MAPK1ALOX15ADRB1
SCHEMBL4513447 0.79 KDM4E (0.54) FFAR1MAPK1ALOX15KEAP1IAPP
SCHEMBL6475595 0.78 KDM5A (0.47) KDM5AADRB2MAPK1ADRB1ADRB3
SCHEMBL13074401 0.77 KDM5A (0.53) KDM5AADRB2MAPK1ALOX15ADRB1
SCHEMBL4515340 0.76 HDAC1 (0.60) MAPK1ALOX15
Hydrochloric Acid SCHEMBL11670336 0.76 ADRB2 (0.55) KDM5AADRB2ADRB1ADRB3SLC6A4
Dihydrocaffeic Acid SCHEMBL7058919 0.76 IAPP (0.65) FFAR1ADRB2MAPK1ALOX15KEAP1
Dihydrocaffeic Acid SCHEMBL245530 0.76 IAPP (0.65) FFAR1ADRB2MAPK1ALOX15KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP claimed
EP-0062440-A1 Process for preparing phenylalkanoic acids and derivatives of benzoxazole therefrom ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed