SCHEMBL8068131

SCHEMBL8068131

C=C(C)C(=O)OCCO.c1ccc2c(Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ESRRA P11474 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR1B P28222 4/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ PGR P06401 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OGG1 O15527 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 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
SCHEMBL11883916 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL2033775 0.83 KDM4E (0.58) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL29791099 0.83 KDM4E (0.58) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL8067969 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDESRRATDP1
SCHEMBL10605986 0.82 KDM4E (0.57) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL8068143 0.82 KMT2A (0.43) TDP1MEN1KMT2AATM
SCHEMBL1806256 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL1803976 0.81 KDM4E (0.56) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL16610588 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
Methacrylic Acid SCHEMBL30425273 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDESRRATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948268-A DISSOLVING IN WATER TO BE TREATED A POLYMER FORMED FROM WATER SOLUBLE MONOMER UNITS COMPRISING A (POLY)ALKYLENE OXIDE END CAPPED WITH AN ADDITION POLYMERIZABLE GROUP AT ONE END AND AN INTENSELY FLUORESCENT GROUP AT OTHER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-07 — — US claimed
EP-0761604-B1 An agent for water treatment NIPPON CATALYTIC CHEM IND (JP) 2000-06-14 — — EP disclosed
US-5948268-A DISSOLVING IN WATER TO BE TREATED A POLYMER FORMED FROM WATER SOLUBLE MONOMER UNITS COMPRISING A (POLY)ALKYLENE OXIDE END CAPPED WITH AN ADDITION POLYMERIZABLE GROUP AT ONE END AND AN INTENSELY FLUORESCENT GROUP AT OTHER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-07 — — US disclosed
EP-0761604-A2 An agent for water treatment NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-12 — — EP disclosed
Send feedback