SCHEMBL15031307

SCHEMBL15031307

CCC(O)C[N+](C)(C)NC(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ LMNA P02545 2/20 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
SCHEMBL15031304 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL17763381 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAKMT2A
SCHEMBL13135883 0.75 MAPT (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14582495 0.72 TAS1R3 (0.60) CA1CA2ALDH1A1TAS1R3TAS1R1
SCHEMBL17763398 0.72 ADRB1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18896210 0.70 TAS1R3 (0.65) CA1CA2ALDH1A1TAS1R3TAS1R1
SCHEMBL13115540 0.69 CES2 (0.41) CA1CA2ALDH1A1NPC1RAB9A
SCHEMBL4155602 0.69 NPC1 (0.69) CA1CA2ALDH1A1TAS1R3TAS1R1
SCHEMBL407188 0.68 CA1 (1.00) CA1CA2ALDH1A1PLK1NPC1
SCHEMBL31325155 0.68 CA1 (0.68) CA1CA2ALDH1A1PLK1NPC1

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-8466238-B2 Latent curing agents, epoxy resin compositions containing the same, sealing materials, and organic EL displays MITSUI CHEMICALS, INC. (JP) 2013-06-18 — — US disclosed
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