SCHEMBL11620639

SCHEMBL11620639

CCOC(=O)c1ccc(N)c(CNC2CCCC(O)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.53
▸ PTGER4 P35408 3/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ STS P08842 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL11617446 1.00 ALOX15 (0.53) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11620634 1.00 ALOX15 (0.53) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11621616 0.87 ALOX15 (0.51) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11622267 0.85 ALOX15 (0.47) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11622270 0.85 ALOX15 (0.47) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11706218 0.85 ALOX15 (0.47) ALOX15PTGER4MEN1ABL1POLB
SCHEMBL11620181 0.83 LMNA (0.46) ALOX15PTGER4MEN1ABL1POLB
Hydrochloric Acid SCHEMBL11617273 0.83 SLC2A1 (0.39) ALOX15MEN1POLBKMT2AMAPT
SCHEMBL11620120 0.76 LMNA (0.45) ALOX15MAPTLMNACYP1A2CYP3A4
SCHEMBL11619777 0.74 LMNA (0.51) ALOX15PTGER4MEN1KMT2AMAPT

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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