SCHEMBL9309718

SCHEMBL9309718

CCC(CC)=C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
ATM Q13315 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
ESR1 P03372 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 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
SCHEMBL9310344 0.81 ELANE (0.48) ELANECES2CES1ALDH1A1MAPT
SCHEMBL9311734 0.79 TSHR (0.45) ELANEATMCES2CES1LMNA
SCHEMBL6204941 0.78 ELANE (0.50) ELANECES2CES1LMNAALDH1A1
SCHEMBL1145280 0.78 ELANE (0.50) ELANECES2CES1LMNAALDH1A1
SCHEMBL6206192 0.78 ELANE (0.50) ELANECES2CES1LMNAALDH1A1
SCHEMBL1453975 0.74 MAPT (0.44) ELANELMNAALDH1A1RAB9AMAPT
SCHEMBL27500323 0.74 ELANE (0.41) ELANEATMLMNAALDH1A1NPC1
SCHEMBL194632 0.72 ELANE (0.46) ELANEATMLMNAALDH1A1NPC1
SCHEMBL6722578 0.72 ELANE (0.46) ELANEATMLMNAALDH1A1NPC1
SCHEMBL28142028 0.72 ELANE (0.46) ELANEATMLMNAALDH1A1NPC1

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