SCHEMBL11540728

SCHEMBL11540728

Cc1cccc(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ TSHR P16473 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ PLIN1 O60240 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GSTA1 P08263 1/20 0.52
▸ GSTP1 P09211 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MAP2K6 P52564 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ GSTO1 P78417 1/20 0.52
▸ PLIN5 Q00G26 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ATM Q13315 1/20 0.52

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
SCHEMBL11540254 0.87 CYP2C9 (0.58) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11541420 0.85 CYP2C9 (0.65) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11541124 0.85 CYP2C9 (0.56) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL14419292 0.85 PTGDR2 (0.56) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11539857 0.84 CYP2C9 (0.57) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11256277 0.81 CYP2C9 (0.52) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11543646 0.81 CYP2C9 (0.56) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11540730 0.81 MAPT (0.48) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL11540896 0.79 CYP2C9 (0.60) CYP2C9TSHRTP53MAPTMEN1
SCHEMBL11265896 0.79 CYP2C9 (0.54) CYP2C9TSHRTP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4166819-A HYPOTENSIVES, DIURETICS ABBOTT LABORATORIES (US) 1979-09-04 — — US disclosed
US-4058559-A HYPOTENSIVE AGENTS, DIURETICS, URICOSURIC AGENTS ABBOTT LABORATORIES (US) 1977-11-15 — — US disclosed
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