SCHEMBL12106899

SCHEMBL12106899

CCC(C)c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 9/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ F2 P00734 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PRSS1 P07477 1/20 0.40

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
SCHEMBL12193637 0.86 BCHE (0.44) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13954190 0.85 CHKA (0.55) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5331811 0.83 CHKA (0.56) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL12193645 0.82 CHKA (0.42) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL25583315 0.82 CHKA (0.45) CHKAALDH1A1KDM4ERAB9AACHE
Iodide SCHEMBL7437383 0.81 CHKA (0.55) CHKAALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7441129 0.81 ALDH1A1 (0.56) CHKAALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL15140537 0.81 CHKA (0.58) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18823400 0.80 CHKA (0.53) CHKAALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL8441051 0.80 CHKA (0.56) CHKAALDH1A1LMNAHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180171190-A1 FORMULATIONS AND APPLICATIONS OF WET-ADHESIVES ACatechol, Inc. (US) 2018-06-21 — — US disclosed
US-20170355890-A1 IONIC POLYMERS AND THEIR USE AS WET-ADHESIVES AND COATINGS ACatechol, Inc. (US) 2017-12-14 — — US disclosed
US-20110269029-A1 DIRECT ALCOHOL ANION FUEL CELL WITH BIOCATHODE AKERMIN, INC. (US) 2011-11-03 — — US disclosed
US-20070020479-A1 Luminescent-polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-25 — — US disclosed
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