SCHEMBL27078153

SCHEMBL27078153

CCc1cccc(C)c1NC[C@H](C)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.43
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN5A Q14524 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
SCHEMBL27078157 1.00 NLRP3 (0.43) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30175030 1.00 NLRP3 (0.43) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11207208 0.87 ALDH1A1 (0.38) NLRP3ALDH1A1HTTMEN1KMT2A
SCHEMBL11492583 0.82 NLRP3 (0.39) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27754049 0.81 PTGS2 (0.46) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19019142 0.81 ELANE (0.46) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15516099 0.78 MAPT (0.51) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL15515197 0.78 MAPT (0.51) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11477290 0.76 PTGS2 (0.42) NLRP3PTGS2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL998947 0.76 PTGS2 (0.49) NLRP3PTGS2ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313935-A1 PROCESS FOR PRODUCING NAA AND (S)-NAA Syngenta Crop Protection AG (CH) 2024-02-07 — — EP disclosed
WO-2022207426-A1 PROCESS FOR PRODUCING NAA AND (S)-NAA SYNGENTA CROP PROTECTION AG (CH) 2022-10-06 — — WO disclosed
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