SCHEMBL11037443

SCHEMBL11037443

[CH2]c1ccc(C)cc1C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.41
▸ TP53 P04637 3/20 0.41
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2A6 P11509 3/20 0.36
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ ACHE P22303 3/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL5084622 0.80 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL87447 0.78 ALOX5 (0.47) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL29392003 0.78 ALOX5 (0.47) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL2602660 0.74 TP53 (0.40) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL16308868 0.74 TDP1 (0.40) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL16308860 0.74 TP53 (0.40) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL685610 0.74 TRPA1 (0.52) TDP1TP53LMNAMAPTKDM4E
SCHEMBL4598520 0.74 NFE2L2 (0.41) TDP1TP53CYP1A2CYP2A6LMNA
SCHEMBL11352142 0.74 MAPT (0.53) TDP1TP53LMNAMAPTKDM4E
SCHEMBL9253034 0.74 ALDH1A1 (0.48) TDP1TP53CYP1A2CYP2A6LMNA

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-0036528-B1 BUTADIENE-STYRENE-VINYL BENZYL CHLORIDE TERPOLYMERS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-01-16 — — EP claimed
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