SCHEMBL27754049

SCHEMBL27754049

CCc1cccc(C)c1NCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HTT P42858 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11172757 0.90 HTT (0.46) NLRP3ALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL10392041 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
Hydrochloric Acid SCHEMBL10392835 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL19019142 0.83 ELANE (0.46) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11477290 0.81 PTGS2 (0.42) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27078153 0.81 NLRP3 (0.43) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27078157 0.81 NLRP3 (0.43) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30175030 0.81 NLRP3 (0.43) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15516099 0.80 MAPT (0.51) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15515197 0.80 MAPT (0.51) PTGS2NLRP3ALDH1A1SMN1; SMN2HSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101367746-B Novel method for synthesizing -metolachlor NANJING UNIVERSITY OF TECHNOLOGY 2011-05-11 — — CN claimed
CN-102010346-A Synthesis method of S-metolachlor JIANGSU CHANGLONG CHEMICALS CO LTD 2011-04-13 — — CN claimed
CN-101367746-A Novel method for synthesizing -metolachlor NANJING UNIVERSITY OF TECHNOLOGY (CN) 2009-02-18 — — CN claimed
CN-104478756-B A kind of synthetic method of (S)-metolachlor HEFEI UNIVERSITY OF TECHNOLOGY (CN) 2016-01-06 — — CN disclosed
CN-104478756-A Synthesis method of (S)-metolachlor UNIV HEFEI TECHNOLOGY 2015-04-01 — — CN disclosed
CN-101367746-B Novel method for synthesizing -metolachlor NANJING UNIVERSITY OF TECHNOLOGY 2011-05-11 — — CN disclosed
CN-102010346-A Synthesis method of S-metolachlor JIANGSU CHANGLONG CHEMICALS CO LTD 2011-04-13 — — CN disclosed
CN-101367746-A Novel method for synthesizing -metolachlor NANJING UNIVERSITY OF TECHNOLOGY (CN) 2009-02-18 — — CN disclosed
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