SCHEMBL7531460

SCHEMBL7531460

Cc1ccc(C)c(P(Cl)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 4/20 0.38
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 3/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 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
SCHEMBL11601299 0.85 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL9327624 0.81 TDP1 (0.39) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL2881810 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL29409676 0.79 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL503693 0.79 TDP1 (0.46) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL8925309 0.77 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL11308895 0.77 TDP1 (0.44) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL10705130 0.76 ACHE (0.35) ACHESMN1; SMN2KMT2A
SCHEMBL30029175 0.75 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL10974172 0.75 ALDH1A1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53

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
WO-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO disclosed