SCHEMBL7044154

SCHEMBL7044154

CCCCCCCCCCc1cccc2c1NC(C)(C)C=C2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PGR P06401 5/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ BID P55957 3/20 0.37
▸ MCL1 Q07820 3/20 0.37
▸ BCL2L1 Q07817 2/20 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
SCHEMBL6663635 1.00 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL26649009 0.81 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL4279830 0.70 LIPG (0.52) NR1H2NR1H3LIPGALOX5PTGS2
SCHEMBL7073745 0.69 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL7071614 0.69 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL7044150 0.69 ALDH1A1 (0.69) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL6657633 0.68 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4HSD17B10KDM4E
SCHEMBL28959883 0.68 LIPG (0.48) NR1H2NR1H3LIPGALOX5PTGS2
SCHEMBL9686821 0.68 DAO (0.51) L3MBTL1NR1H2NR1H3LIPGPPARA
SCHEMBL1414266 0.68 LIPG (0.62) NR1H2NR1H3LIPGALOX5PTGS2

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-0835884-B1 Continuous process for the selective cross-linking of the dispersed phase of AES polymers using mixing equipment at the end of the plant POLIMERI EUROPA SPA (IT) 2003-04-02 — — EP claimed
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