SCHEMBL6896429

SCHEMBL6896429

O=C(c1ccccc1)C1(c2ccccc2)OCOO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
F2 P00734 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
TSHR P16473 2/20 0.33
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL4952380 0.85 LMNA (0.35) LMNAF2MAPTNPC1MAPK1
SCHEMBL4199640 0.84 AKR1C1 (0.40) LMNAKMT2ATSHRAKR1C1ALDH1A1
SCHEMBL5496475 0.80 LMNA (0.43) LMNAF2MAPTNPC1MAPK1
SCHEMBL1551316 0.79 LMNA (0.40) LMNAF2MAPTNPC1MAPK1
SCHEMBL6204352 0.76 AKR1C1 (0.39) LMNAF2MAPTNPC1MAPK1
SCHEMBL9800616 0.76 LMNA (0.38) LMNAF2MAPTNPC1MAPK1
SCHEMBL9859980 0.73 LMNA (0.39) LMNAF2MAPTNPC1MAPK1
SCHEMBL230776 0.72 AKR1C1 (0.45) LMNAKMT2ATSHRAKR1C1ALDH1A1
SCHEMBL22872421 0.70 MAPT (0.40) LMNAF2MAPTNPC1MAPK1
SCHEMBL11490512 0.70 NPSR1 (0.37) LMNAMAPTNPC1MAPK1RAB9A

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-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed