SCHEMBL11501743

SCHEMBL11501743

OC1/C(=C/c2ccc3c(c2)OCO3)CCCC1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 1/20 0.44
HPGD P15428 5/20 0.42
LMNA P02545 2/20 0.42
MAOB P27338 2/20 0.42
DYRK2 Q92630 3/20 0.41
PIM1 P11309 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
DYRK1A Q13627 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
DYRK3 O43781 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL11501744 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EALOX15HPGDLMNA
SCHEMBL11501994 0.75 HSP90AA1 (0.55) ALDH1A1KDM4EALOX15HPGDLMNA
SCHEMBL11501993 0.75 HSP90AA1 (0.55) ALDH1A1KDM4EALOX15HPGDLMNA
SCHEMBL11501717 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLMNAMAOB
SCHEMBL11501716 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLMNAMAOB
SCHEMBL11488275 0.68 MEN1 (0.41) ALDH1A1KDM4EALOX15LMNAKMT2A
SCHEMBL10738197 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EALOX15HPGDLMNA
SCHEMBL11483857 0.66 MEN1 (0.38) ALDH1A1KDM4EALOX15KMT2AMEN1
SCHEMBL11482203 0.65 MEN1 (0.42) ALDH1A1KDM4EALOX15LMNADYRK2
SCHEMBL11478739 0.64 KDM4E (0.67) ALDH1A1KDM4EALOX15HPGDLMNA

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-4177271-A ANTIDEPRESSANTS, HYPNOTICS UNICLER (FR) 1979-12-04 US claimed
US-4177271-A ANTIDEPRESSANTS, HYPNOTICS UNICLER (FR) 1979-12-04 US disclosed