SCHEMBL15031306

SCHEMBL15031306

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GAA P10253 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ SLC6A9 P48067 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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 0.88 ALDH1A1 (0.44) ALDH1A1HPGDHDAC1LMNAGAA
SCHEMBL15031307 0.84 CA1 (0.50) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL13115529 0.73 HTR7 (0.38) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL1369713 0.72 ALDH1A1 (0.61) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL24571817 0.69 ALDH1A1 (0.76) ALDH1A1HPGDLMNAGAARAB9A
SCHEMBL14594223 0.68 ALDH1A1 (0.57) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL532068 0.68 ALDH1A1 (0.57) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL31446720 0.67 ALDH1A1 (0.58) ALDH1A1HPGDLMNASLC6A9NPC1
Hydrochloric Acid SCHEMBL9638798 0.66 ALDH1A1 (0.56) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL10874230 0.66 SLC6A9 (0.49) ALDH1A1HPGDHDAC3HDAC1HDAC2

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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