SCHEMBL7702467

SCHEMBL7702467

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
EED O75530 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CLK1 P49759 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
ALPL P05186 1/20 0.37
CCR5 P51681 5/20 0.37
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5209840 0.91 CCR5 (0.44) SMN1; SMN2EEDSUZ12EZH2NPC1
SCHEMBL7382482 0.84 CA12 (0.47) SMN1; SMN2NPC1RAB9ACLK1MAPT
SCHEMBL7388942 0.83 ALOX5 (0.43) SMN1; SMN2NPC1RAB9ACLK1MAPT
SCHEMBL7380758 0.82 CA12 (0.47) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7697013 0.82 NPC1 (0.41) SMN1; SMN2NPC1RAB9ACLK1MAPT
SCHEMBL7382857 0.82 MAPT (0.43) SMN1; SMN2NPC1RAB9ACLK1MAPT
SCHEMBL5209415 0.82 CCR2 (0.43) SMN1; SMN2NPC1RAB9ACLK1MAPT
SCHEMBL5550241 0.81 ALDH1A1 (0.52) NPC1RAB9ACLK1MAPTMEN1
SCHEMBL7377685 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1MAPTMAPK1KMT2A
SCHEMBL7702964 0.80 NPC1 (0.42) SMN1; SMN2NPC1RAB9ACLK1MAPT

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