SCHEMBL9877234

SCHEMBL9877234

CC(C=CCOC(=O)c1ccc(Cl)cc1)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 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
▸ HPGD P15428 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HTT P42858 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAOB P27338 1/20 0.36

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
4-Chloro-Benzoic Acid SCHEMBL9877235 0.86 CYP1A2 (0.53) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL9472588 0.84 ALDH1A1 (0.56) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL9472585 0.84 ALDH1A1 (0.56) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL28766801 0.79 HTT (0.50) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL11013817 0.78 ALDH1A1 (0.61) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL28766842 0.77 ALDH1A1 (0.56) CYP1A2ALDH1A1LMNAMAPTCYP3A4
SCHEMBL7901619 0.77 MAPT (0.63) CYP1A2ALDH1A1LMNAMAPTCYP3A4
Quizalofop-P-Ethyl SCHEMBL29474422 0.76 MAPT (0.67) CYP1A2ALDH1A1LMNAMAPTCYP3A4
Quizalofop Ethyl Ester SCHEMBL9139248 0.76 MAPT (0.67) CYP1A2ALDH1A1LMNAMAPTCYP3A4
Quizalofop-P-Ethyl SCHEMBL53466 0.76 MAPT (0.67) CYP1A2ALDH1A1LMNAMAPTCYP3A4

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-5034050-A Heteroaryloxy derivatives for postemergence killing of grassy weeds DOWELANCO (US) 1991-07-23 — — US claimed
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