SCHEMBL10898730

SCHEMBL10898730

CC(C)(C)c1cc(/C=C/C(=O)N2CCN(CCc3ccc(C(=O)O)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DHCR7 Q9UBM7 1/20 0.46
MAOA P21397 8/20 0.45
MAOB P27338 8/20 0.45
GPR183 P32249 2/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
ACHE P22303 7/20 0.43
BCHE P06276 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TNFRSF1A P19438 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL10898734 1.00 EBP (0.46) EBPSIGMAR1DHCR7MAOAMAOB
SCHEMBL10900963 0.90 MAOA (0.45) MAOAMAOBGPR183GABBR2GABBR1
SCHEMBL10900958 0.90 MAOA (0.45) MAOAMAOBGPR183GABBR2GABBR1
SCHEMBL10901691 0.88 KCNJ1 (0.50) MAOAMAOBGPR183ACHEALDH1A1
SCHEMBL10901688 0.88 KCNJ1 (0.50) MAOAMAOBGPR183ACHEALDH1A1
SCHEMBL10898376 0.85 MAOA (0.42) MAOAMAOBGPR183ACHEALDH1A1
SCHEMBL10898379 0.85 MAOA (0.42) MAOAMAOBGPR183ACHEALDH1A1
SCHEMBL10901418 0.82 ME2 (0.54) GABBR2GABBR1ACHEPOLBALDH1A1
SCHEMBL10901414 0.82 ME2 (0.54) GABBR2GABBR1ACHEPOLBALDH1A1
SCHEMBL4379032 0.82 GPR183 (0.51) MAOAMAOBGPR183GABBR2GABBR1

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-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed