SCHEMBL9444084

SCHEMBL9444084

CC(Oc1ccccc1Oc1cnc2cc(Cl)ccc2n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ TSHR P16473 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTT P42858 3/20 0.45

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
SCHEMBL8881786 0.87 KMT2A (0.57) ALDH1A1MAPTHPGDCYP1A2LMNA
SCHEMBL7840750 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPGDCYP1A2LMNA
SCHEMBL28548046 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL19210826 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL111413 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL1010164 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL63325 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL29763487 0.84 ALDH1A1 (0.72) ALDH1A1MAPTHPGDCYP1A2LMNA
Quizalofop SCHEMBL10942454 0.83 ALDH1A1 (0.71) ALDH1A1MAPTHPGDCYP1A2LMNA
SCHEMBL10496161 0.82 CYP1A2 (0.56) ALDH1A1MAPTHPGDCYP1A2LMNA

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-5205852-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-27 — — US disclosed
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