SCHEMBL20004974

SCHEMBL20004974

COc1ccc2c(c1)CCc1oc3ccccc3c1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MAOA P21397 2/20 0.49
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
CYP26A1 O43174 2/20 0.46
CYP27A1 Q02318 2/20 0.46
CYP24A1 Q07973 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
MAPK14 Q16539 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL24675929 0.93 MIF (0.47) MIFNPC1RAB9AMAOAKDM4E
SCHEMBL898463 0.89 NPC1 (0.50) NPC1RAB9AMAOAKDM4ESMN1; SMN2
SCHEMBL20366799 0.81 ALK (0.60) MAPTKMT2A
SCHEMBL24675930 0.74 ALK (0.58) MAPTKMT2A
SCHEMBL3759572 0.73 MAPK14 (0.64) MIFNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL897478 0.72 ALK (0.61)
SCHEMBL20366745 0.72 ALK (0.67)
SCHEMBL9262079 0.72 ALDH1A1 (0.53) NPC1RAB9AMAOAKDM4ESMN1; SMN2
SCHEMBL17434684 0.71 MAOA (0.48) MIFNPC1RAB9AMAOAKDM4E
SCHEMBL898478 0.71 ALK (0.66)

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-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed