SCHEMBL9502467

SCHEMBL9502467

CCn1nccc1C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
CYP2C9 P11712 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.52
ABCC3 O15438 1/20 0.52
PLIN1 O60240 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
GSTA1 P08263 1/20 0.52
GSTP1 P09211 1/20 0.52
HSPD1 P10809 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

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) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL9745260 0.89 CYP2C9 (0.48) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL9844351 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL10553919 0.83 TSHR (0.51) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL9745520 0.83 CYP2C9 (0.49) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL9503246 0.79 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL10555540 0.79 MEN1 (0.49) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL10553486 0.78 GSTP1 (0.52) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL10709806 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1NPSR1CYP2C9
SCHEMBL9746083 0.77 HTT (0.55) MEN1KMT2AALDH1A1NPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414931-B1 HYPOTENSIVE AGENT TANABE SEIYAKU CO (JP) 1993-07-14 EP claimed
EP-0268800-B1 PHENOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1992-02-05 EP claimed
EP-0414931-A1 Hypotensive agent TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP claimed
US-4853404-A DIURETIS, SALURETICS, URICOSURETICS TANABE SEIYAKU CO., LTD. (JP) 1989-08-01 US claimed
JP-1316317-A None JP disclosed
EP-0414931-B1 HYPOTENSIVE AGENT TANABE SEIYAKU CO (JP) 1993-07-14 EP disclosed
EP-0268800-B1 PHENOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME Tanabe Seiyaku Co., Ltd. (JP) 1992-02-05 EP disclosed
EP-0414931-A1 Hypotensive agent TANABE SEIYAKU CO., LTD. (JP) 1991-03-06 EP disclosed
JP-H01316317-A HYPOTENSOR TANABE SEIYAKU CO LTD 1989-12-21 JP disclosed
US-4853404-A DIURETIS, SALURETICS, URICOSURETICS TANABE SEIYAKU CO., LTD. (JP) 1989-08-01 US disclosed
EP-0268800-A1 Phenoxyacetic acid derivatives and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-01 EP disclosed