SCHEMBL4650481

SCHEMBL4650481

CC(C)=Cc1cc(C=C(C)C)c(O)c(C=C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.34
▸ PTGS1 P23219 4/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ RGS12 O14924 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ EGFR P00533 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ NFKB1 P19838 2/20 0.31
▸ THPO P40225 2/20 0.31
▸ BLM P54132 2/20 0.31

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
SCHEMBL14173720 0.75 PTGS1 (0.53) PTGS1PTGS2ALOX5EGFRCYP3A4
SCHEMBL4651457 0.75 EGFR (0.42) ERN1PTGS1PTGS2NQO2MEN1
SCHEMBL10365751 0.74 PTGS1 (0.56) PTGS1PTGS2NQO2ALOX5MEN1
SCHEMBL5440903 0.72 ERN1 (0.44) ERN1PTGS1ALDH1A1EGFRLMNA
SCHEMBL14173721 0.70 MAPT (0.59) PTGS1PTGS2MEN1RGS12ALDH1A1
SCHEMBL7175613 0.70 SMN1; SMN2 (0.61) PTGS1PTGS2MEN1RGS12ALDH1A1
SCHEMBL27878207 0.69 ERN1 (0.59) ERN1MEN1ALDH1A1EGFRLMNA
SCHEMBL14198019 0.69 ERN1 (0.59) ERN1MEN1LMNACYP2C9KMT2A
SCHEMBL24170744 0.67 TTR (0.39) ERN1PTGS1PTGS2ALOX5EGFR
SCHEMBL14198027 0.67 ERN1 (0.42) ERN1PTGS1PTGS2ALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435273-B2 Alkoxylated alkyl phenols and the use thereof in fuels and lubricants BASF AKTIENGESELLSCHAFT (DE) 2008-10-14 — — US disclosed
EP-1356012-B1 ALKOXYLATED ALKYL PHENOLS AND THE USE THEREOF IN FUELS AND LUBRICANTS BASF SE (DE) 2008-09-10 — — EP disclosed
US-6913660-B2 Dispersant compositions comprising novel emulsifiers for water in oil emulsions BASF AKTIENGESELLSCHAFT (DE) 2005-07-05 — — US disclosed
EP-1299325-B1 DISPERSANT COMPOSITIONS COMPRISING NOVEL EMULSIFIERS FOR WATER IN OIL EMULSIONS BASF AG (DE) 2004-06-30 — — EP disclosed
US-20040077507-A1 Alkoxylated alkyl phenols and the use thereof in fuels and lubricants BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 — — US disclosed
US-20030145925-A1 Dispersant compositions comprising novel emulsifiers for water in oil emulsions BASF AKTIENGESELLSCHAFT (DE) 2003-08-07 — — US disclosed
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