SCHEMBL11142995

SCHEMBL11142995

CCOC(=O)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 1/20 0.51
PTGIR P43119 4/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
PTGDR Q13258 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CYP3A4 P08684 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
PPARA Q07869 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44

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
P-Xylene SCHEMBL8521620 0.95 ALDH1A1 (0.48) ALDH1A1KMT2APTGIRPTGER1PTGER4
SCHEMBL1396282 0.86 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2CYP3A4ABCB11
SCHEMBL9357885 0.84 CHRNB2 (0.61) ALDH1A1KMT2ASMN1; SMN2CYP3A4ABCB11
SCHEMBL11006739 0.82 ALDH1A1 (0.43) ALDH1A1KMT2APTGIRPTGER1PTGER4
SCHEMBL9228232 0.81 LMNA (0.55) ALDH1A1KMT2ASMN1; SMN2CYP3A4CYP1A2
SCHEMBL1363531 0.81 L3MBTL1 (0.55) ALDH1A1KMT2APTGIRPTGDRSMN1; SMN2
SCHEMBL2090037 0.80 PTGIR (0.49) ALDH1A1KMT2APTGIRPTGER1PTGER4
SCHEMBL31147823 0.79 L3MBTL1 (0.53) ALDH1A1KMT2APTGIRPTGDRSMN1; SMN2
Hydrochloric Acid SCHEMBL27606948 0.79 L3MBTL1 (0.53) ALDH1A1KMT2APTGIRPTGDRSMN1; SMN2
SCHEMBL2090598 0.79 PTGIR (0.58) ALDH1A1KMT2APTGIRPTGER1PTGER4

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-4384980-A COLOR CHANGE UPON EXPOSURE TO ACTINIC RADIATION OR THERMAL ANNEALING ALLIED CORPORATION (US) 1983-05-24 US disclosed