SCHEMBL7589596

SCHEMBL7589596

COc1ccc2c(c1)SCC(C)(c1ccccc1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
CYP19A1 P11511 2/20 0.40
SIRT1 Q96EB6 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.38
PTPN1 P18031 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL5856000 0.92 KDM4E (0.50) KDM4EHTTMAPTLMNAMAOB
SCHEMBL7116082 0.92 KDM4E (0.50) KDM4EHTTMAPTLMNAMAOB
SCHEMBL7117419 0.92 KDM4E (0.50) KDM4EHTTMAPTLMNAMAOB
SCHEMBL5857384 0.87 KDM4E (0.46) KDM4EHTTMAPTLMNAMAOB
SCHEMBL5853940 0.87 KDM4E (0.43) KDM4EHTTMAPTLMNAMAOB
SCHEMBL7589782 0.84 MAPT (0.55) KDM4EHTTMAPTLMNAMAOA
SCHEMBL5854545 0.84 KDM4E (0.45) KDM4EHTTMAPTLMNAMAOB
SCHEMBL8739950 0.74 PPIB (0.48) KDM4EMAPTLMNAMAOBALDH1A1
SCHEMBL5855233 0.73 KDM4E (0.40) KDM4EHTTMAPTLMNAMAOB
SCHEMBL7226822 0.73 KDM4E (0.47) KDM4EHTTMAPTLMNAMAOB

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-0944613-B1 BENZOPYRAN DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-10-09 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed