SCHEMBL9748515

SCHEMBL9748515

C=CCN(CC=C)CCC(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AOC3 Q16853 5/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL6398255 0.82 AOC3 (0.50) RIPK1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11206337 0.79 KDM4E (0.45) RIPK1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11583111 0.79 HRH1 (0.56) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19723310 0.77 AOC3 (0.49) RIPK1KDM4EAOC3LMNAALDH1A1
SCHEMBL95323 0.76 RIPK1 (0.55) RIPK1KDM4EAOC3LMNAL3MBTL1
SCHEMBL7484922 0.76 RIPK1 (0.55) RIPK1KDM4EAOC3LMNAL3MBTL1
SCHEMBL11237204 0.75 RIPK1 (0.46) RIPK1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL14356718 0.75 RIPK1 (0.46) RIPK1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL2745411 0.74 RIPK1 (0.53) RIPK1KDM4EAOC3LMNAALDH1A1
SCHEMBL10672887 0.72 AOC3 (0.62) RIPK1KDM4EAOC3LMNAALDH1A1

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-5166437-A Process for the preparation of fluoxetine ORION-YHTYMA OY (FI) 1992-11-24 US disclosed