SCHEMBL8336160

SCHEMBL8336160

O=C(O)c1nc2cccc(O)c2c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIM1 P11309 3/20 0.47
LMNA P02545 1/20 0.47
DHODH Q02127 5/20 0.43
PDE10A Q9Y233 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTPN1 P18031 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
SCHEMBL11381046 0.80 LMNA (0.61) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL29012657 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2PIM1DHODH
SCHEMBL26606766 0.77 DHODH (0.40) MAPTSMN1; SMN2DHODH
SCHEMBL30583760 0.74 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2PIM1DHODH
SCHEMBL891835 0.74 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2PIM1DHODH
SCHEMBL2806955 0.74 LMNA (0.73) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL28027778 0.74 ESR1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL14917525 0.73 DHODH (0.53) ALDH1A1MAPTSMN1; SMN2LMNADHODH
SCHEMBL9319451 0.71 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2PIM1CA12
SCHEMBL31109172 0.70 SMN1; SMN2 (0.55) ALDH1A1MAPTSMN1; SMN2LMNADHODH

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-5965514-A MILDLY ACIDIC DILUTE AND CONCENTRATED LIQUID COMPOSITIONS COMPRISE AMINE OXIDE DETERGENT SURFACTANT, WHICH IS AT LEAST 10% PROTONATED AND QUATERNARY AMMONIUM DISINFECTANT; HAVE LOW SURFACE TENSION; WILL NOT CAUSE VINYL STAINING THE PROCTER & GAMBLE COMPANY (US) 1999-10-12 US disclosed