SCHEMBL9028587

SCHEMBL9028587

COc1ccc(CN2CCN(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3[C@@H]3C[C@@H](O)CN3C(=O)c3ccc4c(c3)OCO4)C(C3CC(O)CN3C(=O)c3ccc4c(c3)OCO4)C2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9028887 0.90 ALDH1A1 (0.46) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9307946 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9309115 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9308618 0.75 KDM4E (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9310196 0.72 ALDH1A1 (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9027990 0.72 ALDH1A1 (0.53) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9028232 0.68 ALDH1A1 (0.44) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9310707 0.67 HPGD (0.50) ALDH1A1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL9308729 0.65 HPGD (0.58) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9034399 0.65 HPGD (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10

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
EP-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP claimed