SCHEMBL9745260

SCHEMBL9745260

COCn1nccc1C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC3 O15438 1/20 0.47
PLIN1 O60240 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GSTA1 P08263 1/20 0.47
GSTP1 P09211 1/20 0.47
HSPD1 P10809 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
MAP2K6 P52564 1/20 0.47
HSPE1 P61604 1/20 0.47
GSTO1 P78417 1/20 0.47
PLIN5 Q00G26 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9506410 0.89 ALDH1A1 (0.48) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL9502467 0.89 MEN1 (0.52) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL9745520 0.81 CYP2C9 (0.49) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL10709806 0.79 ALDH1A1 (0.44) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL10553486 0.79 GSTP1 (0.52) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL9746104 0.77 L3MBTL1 (0.39) ALDH1A1NPSR1MAPTMEN1LMNA
SCHEMBL9844351 0.77 MEN1 (0.47) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL10552842 0.76 L3MBTL1 (0.42) ALDH1A1NPSR1MAPTTP53HTT
SCHEMBL9746083 0.75 HTT (0.55) CYP2C9ALDH1A1NPSR1TSHRMAPT
SCHEMBL10553919 0.74 TSHR (0.51) CYP2C9ALDH1A1NPSR1TSHRMAPT

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
EP-0268800-B1 PHENOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1992-02-05 EP disclosed
US-4853404-A DIURETIS, SALURETICS, URICOSURETICS TANABE SEIYAKU CO., LTD. (JP) 1989-08-01 US disclosed