SCHEMBL9308306

SCHEMBL9308306

Cc1ccc2c(-c3c(C(=O)O)cccc3C(C)(C)C)oc(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 5/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SORT1 Q99523 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL9310909 0.85 NPC1 (0.32) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9308311 0.85 KDM4E (0.44) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL7312950 0.78 KDM4E (0.53) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL9309273 0.74 AGTR1 (0.34)
SCHEMBL9310915 0.71 AGTR1 (0.33) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7302856 0.70 AR (0.38) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL21810462 0.69 TAS2R14 (0.46) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL7302158 0.68 SLC6A3 (0.46) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL9309854 0.66 TSHR (0.47) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL9139315 0.65 CSNK2A1 (0.53) POLBALDH1A1MEN1KMT2ASMN1; SMN2

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed