SCHEMBL11710081

SCHEMBL11710081

COc1ccc(C(=O)CCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.52
▸ HTT P42858 2/20 0.51
▸ THRB P10828 2/20 0.45
▸ THRA P10827 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ PLIN1 O60240 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GSTA1 P08263 1/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAP2K6 P52564 1/20 0.43
▸ HSPE1 P61604 1/20 0.43

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
SCHEMBL11710296 0.88 HTT (0.52) STING1HTTALDH1A1MEN1LMNA
SCHEMBL11710682 0.88 HTT (0.52) STING1HTTALDH1A1MEN1LMNA
SCHEMBL11603324 0.85 THRB (0.52) STING1HTTTHRBTHRAALDH1A1
SCHEMBL10657187 0.83 THRB (0.50) HTTTHRBTHRAALDH1A1MEN1
SCHEMBL22317250 0.83 THRB (0.56) HTTTHRBTHRAALDH1A1MEN1
SCHEMBL11460627 0.81 HMGCR (0.50) HTTTHRBTHRAALDH1A1MEN1
SCHEMBL10657116 0.81 THRB (0.49) HTTTHRBTHRAALDH1A1MEN1
SCHEMBL5056515 0.79 LMNA (0.56) STING1HTTALDH1A1MEN1LMNA
SCHEMBL6931814 0.79 TDP1 (0.55) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL30949565 0.79 TDP1 (0.55) HTTALDH1A1MEN1KMT2AMAPT

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-4003927-A DIURETICS MERCK & CO., INC. (US) 1977-01-18 — — US disclosed
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