SCHEMBL9943563

SCHEMBL9943563

Cc1ccc(C(Cl)(Cl)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CASR P41180 3/20 0.36
▸ RAPGEF4 Q8WZA2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TRPA1 O75762 1/20 0.33

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
SCHEMBL28027575 0.85 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL11501560 0.83 TDP1 (0.41) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL114856 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9346593 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9065284 0.77 TDP1 (0.44) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9809603 0.76 PTPN1 (0.37) TDP1CYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL18242406 0.75 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL144686 0.75 TP53 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL9249654 0.74 TDP1 (0.34) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL6838457 0.74 CYP2C9 (0.39) TDP1TP53CYP1A2ALDH1A1MEN1

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-2464670-A1 PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS Chemtura Corporation (US) 2012-06-20 — — EP disclosed
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