SCHEMBL9307946

SCHEMBL9307946

COc1ccc(CN2CCN(C(=O)C3CC(O)CN3C(=O)c3ccc4c(c3)OCO4)CC2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL9309115 1.00 ALDH1A1 (0.49) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9310196 0.90 ALDH1A1 (0.53) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9027990 0.90 ALDH1A1 (0.53) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9308618 0.87 KDM4E (0.53) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9028587 0.83 KDM4E (0.49) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9310714 0.77 HPGD (0.62) ALDH1A1HTTKDM4ESMN1; SMN2KMT2A
SCHEMBL9028887 0.72 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL9034399 0.71 HPGD (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL9308729 0.71 HPGD (0.58) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL9309615 0.70 HPGD (0.51) ALDH1A1SMN1; SMN2HSD17B10CYP2C19TSHR

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US claimed
US-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed