SCHEMBL22280548

SCHEMBL22280548

CCC(Cc1c(Br)cc(Br)c(O)c1Br)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPK1 P28482 1/20 0.33
PRSS1 P07477 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
Iophenoxic Acid SCHEMBL966564 0.69 TDP1 (1.00) TDP1CYP1A2CYP2C9HIF1ACHRM1
SCHEMBL6659568 0.68 TTR (0.39) TDP1CYP1A2CYP2C9HIF1ATTR
SCHEMBL3866615 0.67 TDP1 (0.67) TDP1CYP1A2CYP2C9HIF1ACHRM1
SCHEMBL1746794 0.67 TDP1 (0.50) TDP1CYP1A2CYP2C9HIF1ACHRM1
SCHEMBL5287199 0.67 USP2 (0.47) TDP1CYP1A2CYP2C9HIF1ATBXA2R
SCHEMBL1511311 0.66 PPARG (0.49) CYP1A2PPARGPPARDPPARANR4A2
SCHEMBL13941324 0.66 PPARA (0.44) TDP1CYP1A2CYP2C9HIF1ACHRM1
SCHEMBL1114648 0.65 MME (0.61) CYP1A2PPARGPPARDPPARA
SCHEMBL14435214 0.65 PPARG (0.48) TDP1CYP1A2CYP2C9HIF1ACHRM1
SCHEMBL12713224 0.65 PPARG (0.47) TDP1PPARGPPARDPPARA

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
US-20200241418-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-30 US disclosed