SCHEMBL9310344

SCHEMBL9310344

CC(C)=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.48
CYP1A2 P05177 1/20 0.42
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CA4 P22748 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9719608 0.83 CES2 (0.42) ELANEMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL9309718 0.81 ELANE (0.47) ELANEMAPTTDP1HPGDALDH1A1
SCHEMBL9562937 0.79 ELANE (0.52) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL6204752 0.79 ELANE (0.52) ELANECYP1A2MAPTTDP1ALDH1A1
SCHEMBL9311224 0.78 TSHR (0.52) ELANEMAPTTDP1MAPK1HPGD
SCHEMBL6206192 0.75 ELANE (0.50) ELANECYP1A2MAPTTDP1HPGD
SCHEMBL6204941 0.75 ELANE (0.50) ELANECYP1A2MAPTTDP1HPGD
SCHEMBL1145280 0.75 ELANE (0.50) ELANECYP1A2MAPTTDP1HPGD
SCHEMBL1453975 0.74 MAPT (0.44) ELANECYP1A2MAPTHPGDALDH1A1
SCHEMBL28903754 0.74 CES2 (0.39) ELANECYP1A2MAPTTDP1MAPK1

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
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed