SCHEMBL19720257

SCHEMBL19720257

O=C(NNc1ccccc1)OC[C@H](O)CO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX5 P09917 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL10117715 1.00 GAA (0.59) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL13608334 0.86 GAA (0.67) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL13620311 0.85 GAA (0.60) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL1002985 0.84 NPC1 (0.51) SMN1; SMN2ALDH1A1LMNACYP3A4TSHR
SCHEMBL10117690 0.83 GAA (0.62) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL13618767 0.81 ALOX5 (0.50) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL1134248 0.79 GAA (0.39) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL10117720 0.76 GAA (0.56) GAASMN1; SMN2ALDH1A1LMNAPKM
SCHEMBL29220573 0.75 PLAU (0.47) GAAALDH1A1TSHRMAPT
Phenylhydrazine SCHEMBL1134247 0.75 CYP1A2 (0.44) SMN1; SMN2ALDH1A1LMNAPKMCYP3A4

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
EP-2285773-B1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-12-20 — — EP disclosed
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