SCHEMBL8946314

SCHEMBL8946314

COc1cc(C(C)C)c2c(c1)C1Cc3ccccc3C1N2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HTR2A P28223 3/20 0.36
MAOA P21397 1/20 0.36
GID4 Q8IVV7 2/20 0.33
HRH1 P35367 1/20 0.32
DRD1 P21728 1/20 0.32
OPRM1 P35372 1/20 0.30

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
SCHEMBL8946310 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946312 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946289 0.84 HTR2A (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946284 0.84 HTR2A (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946281 0.84 HTR2A (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9844737 0.81 HTR2A (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9844738 0.81 HTR2A (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL9844733 0.81 HTR2A (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946270 0.80 KDM4E (0.48) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946268 0.80 KDM4E (0.48) KDM4EALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed