SCHEMBL28944697

SCHEMBL28944697

O=C(O)c1cc(NCCC(F)(F)F)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
NOX4 Q9NPH5 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
RGS12 O14924 1/20 0.55
EGFR P00533 1/20 0.55
LCK P06239 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
KDM4C Q9H3R0 5/20 0.54
PPARA Q07869 1/20 0.53
STING1 Q86WV6 1/20 0.53
KLKB1 P03952 1/20 0.45
CTSB P07858 1/20 0.45
MMP9 P14780 1/20 0.45
DNMT1 P26358 1/20 0.45
DNMT3B Q9UBC3 1/20 0.45
DNMT3L Q9UJW3 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CA1 P00915 2/20 0.44

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
SCHEMBL27815829 0.84 EGFR (0.58) NOX4MAPTEGFRCA1CA2
SCHEMBL12862660 0.81 ALDH1A1 (0.57) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL608498 0.77 KDM4C (0.53) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL608886 0.77 KDM4C (0.50) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL608754 0.77 NOX4 (0.61) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL10767712 0.77 KAT8 (0.56) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL156253 0.77 ALDH1A1 (0.60) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL17849006 0.77 KDM4C (0.63) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL4116154 0.76 KDM4C (0.52) ALDH1A1NOX4MAPTTDP1RGS12
SCHEMBL21451256 0.76 ALDH1A1 (0.56) ALDH1A1NOX4MAPTTDP1RGS12

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
CN-101874016-A Manufacturing method of 2-hydroxy-5-phenylalkylaminobenzoic acid derivatives and their salts NEUROTECH CO LTD 2010-10-27 CN claimed
CN-101874016-B Manufacturing method of 2-hydroxy-5-phenylalkylaminobenzoic acid derivatives and their salts NEUROTECH CO LTD 2013-06-19 CN disclosed
CN-101874016-A Manufacturing method of 2-hydroxy-5-phenylalkylaminobenzoic acid derivatives and their salts NEUROTECH CO LTD 2010-10-27 CN disclosed