SCHEMBL7698975

SCHEMBL7698975

CCOC(=O)C1=Cc2cc(C(=O)OC)ccc2OCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7382482 0.85 CA12 (0.47) CA12CA9MAPTLMNAMAPK1
SCHEMBL5550241 0.84 ALDH1A1 (0.52) CA12CA9MAPTLMNAMEN1
SCHEMBL7388942 0.84 ALOX5 (0.43) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7380758 0.83 CA12 (0.47) CA12CA9MAPTLMNAMAPK1
SCHEMBL5209415 0.83 CCR2 (0.43) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7697013 0.83 NPC1 (0.41) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7382857 0.83 MAPT (0.43) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7702964 0.81 NPC1 (0.42) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7702467 0.80 SMN1; SMN2 (0.45) MAPTLMNAMAPK1MEN1USP2
SCHEMBL7675716 0.80 CCR5 (0.52) MAPTRAB9ANPC1CLK1CCR5

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-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed