SCHEMBL11210089

SCHEMBL11210089

[NH]C(=O)Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
PTPN7 P35236 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
TBXAS1 P24557 3/20 0.48
PLA2G4B P0C869 1/20 0.48
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PPARA Q07869 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL9832704 0.86 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL339492 0.82 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL23582957 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL14939906 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL10702374 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL27869587 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL2440328 0.79 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL11213233 0.79 PARP10 (0.42) SMN1; SMN2
SCHEMBL6709316 0.79 NQO1 (0.54) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6156467 0.79 ALOX5 (0.65) FFAR1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed