SCHEMBL9079150

SCHEMBL9079150

O=C(CCl)O[C@H]1[C@@H]2OC(c3ccccc3)OC[C@H]2N(C(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.38
KLK5 Q9Y337 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PREP P48147 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
AGTR2 P50052 1/20 0.35
HTR2C P28335 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
USP2 O75604 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL9440012 0.88 L3MBTL1 (0.39) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL8838990 0.87 L3MBTL1 (0.44) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL9077163 0.87 KLK7 (0.38) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL10584618 0.86 KLK7 (0.36) KLK7L3MBTL1
SCHEMBL8796249 0.85 PREP (0.41) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL9077430 0.85 PREP (0.41) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL8839095 0.80 PREP (0.38) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL9230633 0.80 L3MBTL1 (0.42) KLK7KLK5L3MBTL1PREPHTR2C
SCHEMBL8795737 0.80 L3MBTL1 (0.42) KLK7KLK5L3MBTL1PREPTMEM97
SCHEMBL8838992 0.80 L3MBTL1 (0.38) KLK7KLK5L3MBTL1PREPTMEM97

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498604-A MORANOLINE DERIVATIVES, CELL ADHESION INHIBITORS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0627442-A1 LEWIS-TYPE SUGAR CHAIN DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1994-12-07 EP disclosed