SCHEMBL10788015

SCHEMBL10788015

C=CCc1ccccc1Oc1ccccc1N=C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HTR1A P08908 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ADRB2 P07550 3/20 0.36
ADRB1 P08588 3/20 0.36
LMNA P02545 2/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 1/20 0.36
BDKRB2 P30411 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 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
SCHEMBL10790474 0.85 ALDH1A1 (0.38) ICAM1SELEVCAM1ALDH1A1KDM4E
SCHEMBL8156871 0.82 CYP3A4 (0.42) ALDH1A1KDM4ELMNAGAA
Formaldehyde SCHEMBL4291615 0.81 ICAM1 (0.48) ICAM1SELEVCAM1ALDH1A1KDM4E
SCHEMBL29369823 0.80 CYP3A4 (0.50) ALDH1A1TSHRTDP1
SCHEMBL88415 0.80 ALDH1A1 (0.50) ICAM1SELEVCAM1ALDH1A1KDM4E
SCHEMBL1356140 0.80 CYP3A4 (0.50) ALDH1A1TSHRTDP1
SCHEMBL28377763 0.79 CYP3A4 (0.45) ALDH1A1TDP1
SCHEMBL3730543 0.79 ALDH1A1 (0.49) ICAM1SELEVCAM1ALDH1A1KDM4E
SCHEMBL3744643 0.79 ALDH1A1 (0.49) ICAM1SELEVCAM1ALDH1A1KDM4E
Water SCHEMBL8939878 0.79 ALDH1A1 (0.49) ICAM1SELEVCAM1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098158-B1 PESTICIDAL 1-(ALKYL-PHENOXYARYL)-3-BENZOYL UREAS AND PROCESS FOR PREPARATION UNION CARBIDE CORPORATION (US) 1987-11-19 EP claimed
EP-0098158-A1 Pesticidal 1-(alkyl-phenoxyaryl)-3-benzoyl ureas and process for preparation UNION CARBIDE CORPORATION (US) 1984-01-11 EP claimed