SCHEMBL20192243

SCHEMBL20192243

CC1CN(C(C)C(C)C)CC(C)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PDK1 Q15118 1/20 0.35
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19701920 1.00 KDM4E (0.36) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL18436204 0.81 KDM4E (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL10130709 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL104800 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL1911485 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL10130710 0.79 PDK1 (0.38) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL23555055 0.78 EBP (0.37) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL19710606 0.78 EBP (0.37) KDM4EALDH1A1GAACYP2C9HPGD
SCHEMBL23328828 0.76
SCHEMBL21664592 0.76

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-9981922-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2018-05-29 US disclosed