SCHEMBL9676709

SCHEMBL9676709

C=CCc1ccccc1Oc1ccccc1C(=O)c1ccccc1Oc1ccccc1CC=C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
LIG1 P18858 1/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
BDKRB2 P30411 1/20 0.41
SLC6A4 P31645 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
SCHEMBL28417686 0.91 ELANE (0.46) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL3264286 0.89 HTT (0.53) ICAM1SELEVCAM1KDM4EALDH1A1
Formaldehyde SCHEMBL4291615 0.84 ICAM1 (0.48) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL88415 0.84 ALDH1A1 (0.50) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL3730543 0.82 ALDH1A1 (0.49) ICAM1SELEVCAM1KDM4EALDH1A1
Water SCHEMBL8939878 0.82 ALDH1A1 (0.49) ICAM1SELEVCAM1KDM4EALDH1A1
Ethylene SCHEMBL173231 0.82 ALDH1A1 (0.49) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL3744643 0.82 ALDH1A1 (0.49) ICAM1SELEVCAM1KDM4EALDH1A1
Phosphoric Acid SCHEMBL4078188 0.81 ICAM1 (0.47) ICAM1SELEVCAM1KDM4EALDH1A1
Sulfuric Acid SCHEMBL1678480 0.81 ICAM1 (0.47) ICAM1SELEVCAM1KDM4EALDH1A1

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
EP-0501587-A1 Bisimide resin processing SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-09-02 EP disclosed