SCHEMBL7012697

SCHEMBL7012697

c1ccc(-c2ccccc2OCCN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
LMNA P02545 4/20 0.76
HTT P42858 2/20 0.76
ALDH1A1 P00352 7/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
KMT2A Q03164 5/20 0.72
MEN1 O00255 3/20 0.72
PKM P14618 1/20 0.72
POLB P06746 2/20 0.72
TP53 P04637 1/20 0.71
LTA4H P09960 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TSHR P16473 1/20 0.60
DRD1 P21728 1/20 0.60
DRD4 P21917 1/20 0.60
DRD5 P21918 1/20 0.60
HRH1 P35367 1/20 0.60
DRD3 P35462 1/20 0.60

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
SCHEMBL14970458 0.98 KDM4E (0.86) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL11020028 0.91 ALDH1A1 (0.85) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL14970455 0.90 KDM4E (0.88) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL28311408 0.86 KDM4E (0.75) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL14970717 0.85 KDM4E (0.88) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9241445 0.83 KDM4E (0.61) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20360543 0.83 KDM4E (0.64) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL21616844 0.82 KDM4E (0.67) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL24324263 0.81 LMNA (0.63) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL24322736 0.81 LMNA (0.63) KDM4ESMN1; SMN2LMNAHTTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065209-B1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-05-02 EP disclosed
US-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed
EP-1065209-A1 Metalloprotease inhibitors, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-03 EP disclosed