SCHEMBL9099770

SCHEMBL9099770

Clc1ccc(OCC(Cl)(Cl)Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MRGPRX4 Q96LA9 3/20 0.49
STAT3 P40763 1/20 0.48
TSHR P16473 1/20 0.47
S1PR4 O95977 7/20 0.46
MAPT P10636 2/20 0.45
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.44
PGR P06401 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HSPA5 P11021 1/20 0.44
HPGD P15428 1/20 0.44
CBR1 P16152 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
AGTR1 P30556 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22000046 0.82 TDP1 (0.51) TDP1MRGPRX4STAT3TSHRS1PR4
SCHEMBL13660655 0.82 TDP1 (0.51) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL11413525 0.79 S1PR4 (0.66) TDP1S1PR4MAPT
SCHEMBL10379872 0.79 TDP1 (0.60) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL3275231 0.77 TDP1 (0.58) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL1547765 0.75 TDP1 (0.56) TDP1TSHRS1PR4MAPTHPGD
SCHEMBL12360711 0.75 TDP1 (0.56) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL8553954 0.75 TDP1 (0.56) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL1547622 0.75 TDP1 (0.56) TDP1MRGPRX4TSHRS1PR4MAPT
SCHEMBL11840387 0.75 TDP1 (0.56) TDP1MRGPRX4TSHRS1PR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048604-A None JP disclosed
JP-H0848604-A HERBICIDAL COMPOSITION ISHIHARA SANGYO KAISHA LTD 1996-02-20 JP disclosed
JP-H00848604-A 0001-01-01 JP disclosed