SCHEMBL9220689

SCHEMBL9220689

O=C(O)c1cc2c(cc1C(=O)O)C(c1ccccc1)(C(F)(F)C(F)(F)F)c1cc(C(=O)O)c(C(=O)O)cc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
CYP2C9 P11712 1/20 0.34
CNR1 P21554 5/20 0.33
PDK2 Q15119 3/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PTGER4 P35408 1/20 0.30
GRIK1 P39086 1/20 0.30

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
SCHEMBL9215677 0.97 KMT2A (0.34) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9223896 0.92 ALOX5 (0.33) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9223436 0.90 KMT2A (0.33) ALOX5CYP2C9PDK2CDC25ACDC25B
SCHEMBL1099586 0.89 PDK2 (0.38) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9221863 0.87 PDK2 (0.37) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9220858 0.86 PDK2 (0.36) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9455620 0.81 PDK2 (0.33) ALOX5CYP2C9CNR1PDK2CDC25A
SCHEMBL9455626 0.80 CA12 (0.37) ALOX5CYP2C9PDK2GAA
SCHEMBL8797540 0.78 CNR1 (0.32) CNR1
SCHEMBL3274334 0.77 ALOX5 (0.41) ALOX5CYP2C9CNR1CDC25ACDC25B

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
WO-1995004305-A1 PHOTOSENSITIVE FLUORINATED POLY(AMIC ACID) AMINOACRYLATE SALT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-09 WO disclosed