SCHEMBL7773641

SCHEMBL7773641

CCCCOC(=O)NC(C)(C)C([NH])=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 14/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7771471 0.89 KDM4E (0.38) EPHX1ACHEALDH1A1HPGDRAB9A
SCHEMBL7769422 0.84 EPHX1 (0.33) EPHX1ACHE
SCHEMBL2487393 0.84 EPHX1 (0.47) EPHX1ACHEALDH1A1ATM
SCHEMBL7771359 0.83 EPHX1 (0.36) EPHX1ACHE
SCHEMBL7773645 0.82 ALDH1A1 (0.48) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL11100479 0.81 EPHX1 (0.52) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL7773591 0.81 GAA (0.39) ALDH1A1TSHRNPC1
Ammonia Solution, Strong SCHEMBL27626603 0.79 EPHX1 (0.50) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL4962862 0.78 EPHX1 (0.42) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL6318148 0.76 EPHX1 (0.47) EPHX1ACHEALDH1A1ATMHPGD

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
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed