SCHEMBL11622270

SCHEMBL11622270

CCOC(=O)c1ccc(NC(C)=O)c(CN[C@H]2CCC[C@@H](O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ RIN1 Q13671 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL11622267 1.00 ALOX15 (0.47) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11706218 1.00 ALOX15 (0.47) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11621259 0.88 KMT2A (0.50) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11620634 0.85 ALOX15 (0.53) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11620639 0.85 ALOX15 (0.53) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11617446 0.85 ALOX15 (0.53) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11623140 0.78 ALDH1A1 (0.46) ALOX15KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11620181 0.77 LMNA (0.46) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11621081 0.77 ALOX15 (0.58) ALOX15KMT2APOLBABL1RIN1
SCHEMBL11616677 0.75 ALOX15 (0.51) ALOX15KMT2APOLBMAPTPTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-4006246-A ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT BOEHRINGER INGELHEIM GMBH (DT) 1977-02-01 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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