SCHEMBL11700160

SCHEMBL11700160

CCOC(=O)c1ccc(N(C)C(C)=O)c(CNC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ RIN1 Q13671 1/20 0.48
▸ SLC2A1 P11166 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ STS P08842 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL11704518 0.81 MEN1 (0.42) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11621081 0.79 ALOX15 (0.58) ALOX15MEN1KMT2APOLBABL1
SCHEMBL15320040 0.73 ALOX15 (0.72) ALOX15MEN1KMT2APOLBALDH1A1
SCHEMBL11621616 0.71 ALOX15 (0.51) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11616677 0.71 ALOX15 (0.51) ALOX15KMT2APOLBALDH1A1KDM4E
SCHEMBL11621259 0.71 KMT2A (0.50) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11620162 0.71 MEN1 (0.44) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11620430 0.71 ALDH1A1 (0.47) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11702052 0.70 ALOX15 (0.68) ALOX15MEN1KMT2APOLBABL1
SCHEMBL11620639 0.70 ALOX15 (0.53) ALOX15MEN1KMT2APOLBABL1

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-4006246-A ANTIULCER, SECRETOLYTIC, ANTITUSSIVE, STIMULANT BOEHRINGER INGELHEIM GMBH (DT) 1977-02-01 — — US disclosed
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