SCHEMBL8946348

SCHEMBL8946348

COc1c(C)c(C)c2c(c1C)[C@@H]1Cc3ccccc3[C@@H]1N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 2/20 0.32
DYRK1A Q13627 1/20 0.31
CYP19A1 P11511 1/20 0.31
HTR2A P28223 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB2 P07550 3/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2B P18089 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL8946358 1.00 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946353 1.00 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTHPGD
Indole SCHEMBL9739454 0.89 TRPA1 (0.35)
SCHEMBL8946604 0.82 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946594 0.82 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946600 0.82 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946717 0.80 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946709 0.80 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946715 0.80 ALDH1A1 (0.39) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL8946281 0.71 HTR2A (0.39) 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 4 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 claimed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP disclosed