SCHEMBL8313770

SCHEMBL8313770

CCOC(=O)Oc1ccc(C(=O)NC2CCCCC(=O)N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL8313869 0.75 RAB9A (0.42) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL7421087 0.69 NAAA (0.46) SMN1; SMN2GAA
SCHEMBL14458011 0.69 CMA1 (0.41) ALDH1A1TP53HPGDDDB1CRBN
SCHEMBL6451238 0.68 ALDH1A1 (0.55) RAB9AMAPTALDH1A1SMN1; SMN2MMP2
SCHEMBL11985716 0.67 SERPINE1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MMP2
SCHEMBL3789020 0.65 HSD17B10 (0.53) MAPTALDH1A1TP53SMN1; SMN2MMP2
SCHEMBL6811318 0.65 ALDH1A1 (0.41) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL23802411 0.64 KMT2A (0.53) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL929726 0.64 KMT2A (0.45) ALDH1A1SMN1; SMN2CYP1A2MMP2MMP9
SCHEMBL1788228 0.64 RAB9A (0.50) RAB9AMAPTALDH1A1SMN1; SMN2CYP2C19

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 5 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
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed