SCHEMBL7330998

SCHEMBL7330998

COC(=O)c1ccc2c(c1)C(Oc1ccnc(O)c1)C(C)(O)C(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALOX15 P16050 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
ALOX5 P09917 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
XDH P47989 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL7322880 0.90 HTR1A (0.32) TSHR
SCHEMBL7333916 0.85 CYP1A2 (0.32) KDM4ELMNATSHRPOLB
SCHEMBL7330402 0.83
SCHEMBL8088697 0.83 LMNA (0.31) LMNAMAPK1
SCHEMBL7331673 0.82 ABCC9 (0.39) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL8085398 0.82
SCHEMBL8085025 0.81 AKR1B1 (0.33) HTTMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL7325525 0.80 ABCB1 (0.39) KDM4E
SCHEMBL9443581 0.76 CA12 (0.38) KDM4EALOX5CA12CA1CA2
SCHEMBL8084465 0.71 CA12 (0.35) KDM4EALOX15ALOX5CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0340718-B1 Chroman derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed