SCHEMBL9428089

SCHEMBL9428089

COc1cc(CC(=O)O)cc2c(Cl)cc(C(F)(F)F)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ PDE4A P27815 4/20 0.41
▸ PDE4C Q08493 4/20 0.41
▸ IGF1R P08069 3/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MBOAT4 Q96T53 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPARG P37231 1/20 0.38

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
SCHEMBL9427810 0.84 CYP3A4 (0.41) PDE4BPDE4DALDH1A1MAPTHTT
SCHEMBL2860220 0.76 KMT2A (0.41) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL874733 0.71 NQO2 (0.48) PDE4BPDE4DPDE4APDE4CIGF1R
SCHEMBL27946839 0.69 ALDH1A1 (0.48) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL7497902 0.69 NT5E (0.50) IGF1RGAAALDH1A1TSHRNFKB1
SCHEMBL26919067 0.69 CYP3A4 (0.40) PDE4BPDE4DALDH1A1TSHRMAPT
SCHEMBL11156508 0.68 GAA (0.57) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30154464 0.67 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL586214 0.67 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL14856369 0.66 GAA (0.62) GAAALDH1A1TSHRNFKB1TDP1

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
US-5359076-A Cyclic aminophenylacetic acid derivatives, process for preparing the same and immune response modulator having the same as an effective ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 — — US disclosed
EP-0538477-A1 NOVEL CYCLIC AMINOPHENYLACETIC ACID DERIVATIVE, PRODUCTION THEREOF, AND IMMUNE RESPONSE MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-04-28 — — EP disclosed
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