SCHEMBL11533768

SCHEMBL11533768

COc1cc(CN2CCC(N)CC2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
POLB P06746 1/20 0.57
BCHE P06276 3/20 0.55
BACE1 P56817 3/20 0.55
ACHE P22303 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL17967915 0.84 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1TDP1
Hydrochloric Acid SCHEMBL10334149 0.83 KDM4E (0.75) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL23178593 0.83 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL8352314 0.83 SIGMAR1 (0.59) KDM4EMEN1KMT2AALDH1A1BCHE
Hydrochloric Acid SCHEMBL11537371 0.82 SIGMAR1 (0.57) KDM4EMEN1KMT2AALDH1A1BCHE
SCHEMBL9832407 0.82 KDM4E (0.81) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL6939806 0.81 SIGMAR1 (0.49) KDM4EMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL8310001 0.81 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL16884170 0.80 POLB (0.82) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL4108356 0.80 BACE1 (0.44) KDM4EMEN1KMT2AALDH1A1TDP1

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-4138492-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS ANPHAR, S.A. (ES) 1979-02-06 US disclosed