SCHEMBL11665682

SCHEMBL11665682

CCCCN(CCOC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 6/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
CASP1 P29466 1/20 0.50
CYP1A2 P05177 4/20 0.49
MAPK1 P28482 3/20 0.49
DRD3 P35462 2/20 0.49
SCN1A P35498 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
DRD4 P21917 1/20 0.49
ACHE P22303 1/20 0.49
HRH2 P25021 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
SCHEMBL11676197 0.92 LMNA (0.59) L3MBTL1LMNARAB9ANPC1CYP1A2
SCHEMBL11676968 0.90 KMT2A (0.51) L3MBTL1LMNARAB9ANPC1CYP1A2
SCHEMBL11676356 0.89 GAA (0.54) L3MBTL1LMNARAB9ANPC1CYP1A2
SCHEMBL11677518 0.88 SMN1; SMN2 (0.52) L3MBTL1LMNARAB9ANPC1MAPK1
SCHEMBL5280286 0.85 L3MBTL1 (0.59) L3MBTL1LMNARAB9ANPC1CASP1
SCHEMBL11676375 0.84 LMNA (0.63) LMNARAB9ANPC1MAPK1SLC6A3
SCHEMBL8519636 0.82 TDP1 (0.61) LMNARAB9ANPC1MAPK1SLC6A3
SCHEMBL23663774 0.81 LMNA (0.64) LMNARAB9ANPC1CYP1A2MAPK1
SCHEMBL10993847 0.81 CNR2 (0.46) L3MBTL1LMNARAB9ANPC1CYP1A2
SCHEMBL11676607 0.81 LMNA (0.49) LMNARAB9ACYP1A2MAPK1DRD3

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
US-4088673-A Process for the preparation of styryl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed