SCHEMBL8908153

SCHEMBL8908153

[O]CC(O)CN1CC=C(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 2/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 2/20 0.57
ALOX12 P18054 1/20 0.57
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
SIGMAR1 Q99720 3/20 0.53
HTR1A P08908 1/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CYP2D6 P10635 1/20 0.46
THPO P40225 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
SCHEMBL8908157 0.87 KDM4E (0.55) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL9092391 0.78 SIGMAR1 (0.49) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL1061316 0.76 SIGMAR1 (0.55) GAASIGMAR1HTR1AHTTDRD2
SCHEMBL7854831 0.76 LMNA (0.58) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL7854934 0.76 LMNA (0.67) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL7862476 0.75 ABCB1 (0.65) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL7864576 0.75 LMNA (0.55) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL7861680 0.74 TSHR (0.73) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL7862516 0.74 MAPT (0.62) KDM4ELMNAALDH1A1ALOX15TSHR
SCHEMBL10852629 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRGAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698565-A TREATMENT OF PSYCHOTIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US disclosed