SCHEMBL11287913

SCHEMBL11287913

C=C(CCc1cccc(N(C)C)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 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
SCHEMBL29954798 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15GAAKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL10411183 0.83 ALDH1A1 (0.57) ALDH1A1ALOX15GAAKMT2AL3MBTL1
SCHEMBL7322435 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15GAAKMT2AL3MBTL1
SCHEMBL1469760 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15GAAKMT2ACNR1
SCHEMBL1921167 0.80 CTBP2 (0.50) ALDH1A1KMT2AL3MBTL1HDAC1HDAC6
SCHEMBL6179341 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15GAAKMT2AL3MBTL1
SCHEMBL17975817 0.79 FFAR1 (0.53) ALDH1A1GAAHDAC1HDAC6MAOA
SCHEMBL11298255 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15GAAKMT2AL3MBTL1
SCHEMBL1137422 0.78 DRD2 (0.50) HDAC6
SCHEMBL1919956 0.76 PLAAT3 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1THRA

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-0058765-A2 Coating soluble or swellable in gastric juice, and its use in a process for coating pharmaceutical preparations RÖHM GMBH (DE) 1982-09-01 — — EP disclosed
Send feedback