SCHEMBL8733885

SCHEMBL8733885

Cc1c(Cl)c(OCC(=O)O)c(Cc2ccc3c(Cl)cccc3c2)c(O)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
SLC22A12 Q96S37 2/20 0.37
AR P10275 2/20 0.36
P2RX3 P56373 2/20 0.35
ALOX5 P09917 1/20 0.34
PTPN1 P18031 1/20 0.34
HIF1A Q16665 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL8732749 0.91 KDM4E (0.40) KMT2AKDM4EHTTARP2RX3
SCHEMBL8736522 0.84 THRA (0.40) KMT2AKDM4EPKMHTTTHRA
SCHEMBL8732768 0.84 AR (0.40) AR
SCHEMBL8734287 0.83 KMT2A (0.42) KMT2AKDM4EPKMHTTTHRA
SCHEMBL8904879 0.82 AR (0.37) KMT2AKDM4ESLC22A12ARP2RX3
SCHEMBL8734491 0.81 CETP (0.39) KMT2AKDM4ETHRATHRBPTPN1
SCHEMBL8733903 0.77 PTGDR2 (0.40) KMT2AKDM4ETHRATHRBPTPN1
SCHEMBL8905400 0.76 NQO1 (0.37) KMT2ASLC22A12ARP2RX3
SCHEMBL8734319 0.76 CTSD (0.40) KMT2AKDM4ETHRATHRBPTPN1
SCHEMBL8905392 0.75 NQO1 (0.36) KMT2AKDM4ESLC22A12ARP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847379-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-17 EP claimed
WO-1997008126-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-06 WO claimed
EP-0847379-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-17 EP disclosed
WO-1997008126-A1 PHENOXY ACETIC ACIDS AS ALDOSE REDUCTASE INHIBITORS AND ANTIHYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-06 WO disclosed