SCHEMBL7048615

SCHEMBL7048615

CCCCOC(=O)NC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ACHE P22303 14/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL590532 0.83 EPHX1 (0.59) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL10724669 0.79 MGAM (0.42) ALDH1A1MAPTRAB9A
SCHEMBL9197261 0.79 EPHX1 (0.55) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL27907267 0.79 EPHX1 (0.47) EPHX1ACHEALDH1A1ATM
SCHEMBL590531 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL9395279 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL28436498 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL7447192 0.78 EPHX1 (0.53) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL11627977 0.78 ALDH1A1 (0.58) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL5138408 0.77 EPHX1 (0.69) EPHX1ACHEALDH1A1

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
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO disclosed
EP-1259499-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060808-A1 THIAZEPINYL HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed