SCHEMBL30368604

SCHEMBL30368604

OB(O)OCCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
CYP1A2 P05177 1/20 0.38
EPHX1 P07099 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
HPGD P15428 1/20 0.34
METAP1 P53582 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL29013913 0.73 CTSL (0.36)
SCHEMBL11224710 0.72 CYP1A2 (0.46) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL8743871 0.72 CYP1A2 (0.46) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL21938959 0.70 CYP1A2 (0.44) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL4630394 0.70 NFE2L2 (0.40) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL2768315 0.70 NFE2L2 (0.40) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL15589465 0.70 NFE2L2 (0.40) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
SCHEMBL8986251 0.69 NFE2L2 (0.42) NFE2L2CYP1A2EPHX1SIGMAR1HPGD
Boric Acid SCHEMBL28284962 0.69 CYP1A2 (0.35) NFE2L2CYP1A2EPHX1SIGMAR1SMN1; SMN2
SCHEMBL1404458 0.69 NFE2L2 (0.42) NFE2L2CYP1A2EPHX1SIGMAR1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096731-A Improved combinations of protease and protease inhibitor with a second enzyme 巴斯夫欧洲公司 2023-05-09 CN disclosed