SCHEMBL25566904

SCHEMBL25566904

Cc1cccc(C(=O)C(=O)c2cccc(OC(=O)c3ccccc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 9/20 0.57
ALOX5 P09917 1/20 0.56
ESR1 P03372 2/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MEN1 O00255 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL5435205 0.90 MAPT (0.63) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL30689549 0.90 MAPT (0.63) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL23064097 0.90 KMT2A (0.62) MAPTKMT2AALOX5ESR1CES2
SCHEMBL1644913 0.89 MAPT (0.61) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL6057124 0.87 KMT2A (0.64) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL30342901 0.87 KMT2A (0.64) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL11666119 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL16247996 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL7211406 0.83 MAPT (0.67) MAPTCYP1A2CYP3A4GAACYP2C9
SCHEMBL29723825 0.82 MAPT (0.66) MAPTCYP1A2CYP3A4GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11674082-B2 Polymerizable liquid crystal compound, liquid crystal composition for optical element, polymer, optically anisotropic body, and optical element for display device LG CHEM, LTD. 2023-06-13 US disclosed