SCHEMBL9417615

SCHEMBL9417615

O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.72
▸ GAA P10253 1/20 0.72
▸ POLB P06746 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ AADAT Q8N5Z0 1/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ TSHR P16473 1/20 0.56
▸ PKM P14618 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALOX15 P16050 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ NFKB1 P19838 1/20 0.48

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
SCHEMBL30216480 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL392680 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL4861809 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL478614 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AAADAT
Hydrochloric Acid SCHEMBL7840775 0.83 ALDH1A1 (0.97) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL6635286 0.81 ALDH1A1 (0.80) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL21914164 0.81 ALDH1A1 (0.80) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL9665050 0.80 ALDH1A1 (0.78) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL23702539 0.80 KMT2A (0.58) ALDH1A1GAAPOLBKMT2AAADAT
SCHEMBL17162091 0.80 KMT2A (0.58) ALDH1A1GAAPOLBKMT2AAADAT

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
JP-6247931-A — — None — — JP disclosed
JP-H06247931-A NEW PHTHALIMIDE DERIVATIVE AND PLANT GROWTH CONTROLLING AGENT USING THE SAME AS EFFECTIVE COMPONENT AGENCY OF IND SCIENCE & TECHNOL 1994-09-06 — — JP disclosed
Send feedback