SCHEMBL5496475

SCHEMBL5496475

O=C(c1ccccc1)C1(c2ccccc2)OO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
F2 P00734 1/20 0.43
CES1 P23141 5/20 0.42
CES2 O00748 4/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
CYP3A4 P08684 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 2/20 0.39

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
SCHEMBL1551316 0.82 LMNA (0.40) LMNAF2CES1CES2TSHR
SCHEMBL22872421 0.80 MAPT (0.40) LMNAF2CES1CES2TSHR
SCHEMBL6896429 0.80 LMNA (0.36) LMNAF2CES1CES2TSHR
SCHEMBL10353787 0.79 AKR1C1 (0.45) LMNAF2CES1CES2TSHR
SCHEMBL9800616 0.79 LMNA (0.38) LMNAF2CES1CES2TSHR
SCHEMBL6204352 0.79 AKR1C1 (0.39) LMNAF2CES1CES2TSHR
SCHEMBL4952380 0.79 LMNA (0.35) LMNAF2CES1CES2TSHR
SCHEMBL9859980 0.76 LMNA (0.39) LMNAF2CES1CES2TSHR
SCHEMBL28876346 0.74 F2 (0.38) LMNAF2CES1CES2TSHR
SCHEMBL22872468 0.71 CES2 (0.46) LMNACES1CES2ALDH1A1MAPT

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-20070287070-A1 Electrode for Polymer Electrolyte Secondary Battery and Polymer Electrolyte Secondary Battery NOF CORPORATION (JP) 2007-12-13 US disclosed
US-4885159-A COMPRISING POLYMER FROM A SURFACTANT MONOMER HAVING QUATERNARY AMMONIUM CATION AND POLYMERIZABLE ANION LION CORPORATION (JP) 1989-12-05 US disclosed
EP-0246090-A2 Hair cosmetic composition LION CORPORATION (JP) 1987-11-19 EP disclosed