SCHEMBL8317110

SCHEMBL8317110

CCOC(=O)c1ccc(C=CC(=O)NC2CCCNC(=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 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
SCHEMBL8314714 0.86 CYP1A2 (0.42) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8311410 0.86 TAS1R3 (0.47) MAPTCYP1A2RAB9ANPC1KMT2A
SCHEMBL8313023 0.86 MAPT (0.43) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8313443 0.85 ALDH1A1 (0.54) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8317248 0.82 PTGS2 (0.52) MAPTCYP1A2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8313640 0.81 POLB (0.54) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8315616 0.81 MAPT (0.52) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8314971 0.80 MAOB (0.48) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8310460 0.80 SMN1; SMN2 (0.47) MAPTCYP1A2RAB9ANPC1SMN1; SMN2
SCHEMBL8313214 0.80 TP53 (0.47) MAPTRAB9AALDH1A1LMNA

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
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed