SCHEMBL10494906

SCHEMBL10494906

CC[N+](O)(O)c1ccc(NC2=CC(=O)C(NCCO)=CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.43
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 9/20 0.36
▸ APAF1 O14727 6/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ BLM P54132 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MITF O75030 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ CASP3 P42574 4/20 0.36
▸ SENP8 Q96LD8 4/20 0.36
▸ SENP7 Q9BQF6 4/20 0.36
▸ SENP6 Q9GZR1 4/20 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
SCHEMBL15022768 0.79 DNM1 (0.71) DNM1MAPTAPAF1SMN1; SMN2BLM
SCHEMBL13021555 0.79 DNM1 (0.40) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL15022915 0.77 DNM1 (0.50) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL12997462 0.75 DNM1 (0.42) DNM1MAPTAPAF1SMN1; SMN2BLM
SCHEMBL1435599 0.73 DNM1 (0.45) DNM1MAPTAPAF1SMN1; SMN2BLM
SCHEMBL3476002 0.73 DNM1 (0.42) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL5158945 0.72 MAPT (0.51) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL12997204 0.72 DNM1 (0.44) DNM1MAPTAPAF1SMN1; SMN2BLM
SCHEMBL12997449 0.71 DNM1 (0.43) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL13020971 0.71 DNM1 (0.40) DNM1CYP1A2MAPTAPAF1SMN1; SMN2

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
US-4888025-A 1-PHENOXY-3-AMINOPROPAN-2-OL L'OREAL (FR) 1989-12-19 — — US claimed
US-4888025-A 1-PHENOXY-3-AMINOPROPAN-2-OL L'OREAL (FR) 1989-12-19 — — US disclosed
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