SCHEMBL27453087

SCHEMBL27453087

CCN(C(N)=O)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
KIF11 P52732 1/20 0.41
MLYCD O95822 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP3A4 P08684 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ALOX5 P09917 1/20 0.39
USP5 P45974 1/20 0.39
EGFR P00533 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
SCHEMBL22537737 0.84 OXTR (0.45) OXTRALDH1A1TSHRGLAMLYCD
SCHEMBL657891 0.83 ALDH1A1 (0.52) ALDH1A1TSHRGLAMLYCDCYP3A4
SCHEMBL27508524 0.81 CYP3A4 (0.58) ALDH1A1TSHRGLACYP3A4CNR2
Hydrochloric Acid SCHEMBL10801383 0.80 ALDH1A1 (0.48) ALDH1A1TSHRGLAMLYCDCYP3A4
SCHEMBL7575874 0.79 ALDH1A1 (0.47) ALDH1A1TSHRGLAMLYCDCYP3A4
SCHEMBL27544700 0.78 ALDH1A1 (0.46) ALDH1A1TSHRGLACYP3A4POLB
SCHEMBL27579774 0.78 CYP3A4 (0.42) CYP3A4KDM4EALOX5
SCHEMBL27597520 0.78 C5AR1 (0.47) ALDH1A1CNR2KDM4EALOX5
SCHEMBL340272 0.77 ALDH1A1 (0.70) ALDH1A1TSHRGLACYP3A4HTT
SCHEMBL27579775 0.77 BCL2A1 (0.49) HSP90AA1HSP90AB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1272040-A Enhancement of seed yield of soybeans by substituted benzoyl urea UNIROYAL CHEM CO INC (US) 2000-11-01 CN claimed
CN-1221316-A Benzoylurea insecticides on gene-modified Bt cotton UNIROYAL CHEM CO INC (US) 1999-06-30 CN claimed
CN-110352975-A A kind of Synergistic herbicide compositions of wheat paddock containing isoproturon 西华大学 2019-10-22 CN disclosed
CN-109832278-A A kind of Synergistic herbicide compositions containing isoproturon 西华大学 2019-06-04 CN disclosed
CN-1217579-C Benzoylurea insecticides on gene-modified Bt cotton UNIROYAL CHEM CO INC (US) 2005-09-07 CN disclosed
CN-1146320-C Enhancement of seed yield of soybeans by substituted benzoyl urea 尤尼罗亚尔化学公司 2004-04-21 CN disclosed
CN-1272040-A Enhancement of seed yield of soybeans by substituted benzoyl urea UNIROYAL CHEM CO INC (US) 2000-11-01 CN disclosed
CN-1221316-A Benzoylurea insecticides on gene-modified Bt cotton UNIROYAL CHEM CO INC (US) 1999-06-30 CN disclosed