SCHEMBL25912438

SCHEMBL25912438

CCC(=O)OCC(O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NAAA Q02083 1/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.32
HDAC3 O15379 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
SCHEMBL8400888 0.78 MAPT (0.37) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL16254838 0.77 NAAA (0.36) TSHRNAAAMAPTALDH1A1CYP1A2
SCHEMBL27114689 0.77 NAAA (0.43) TSHRNAAAMAPTALDH1A1CYP1A2
SCHEMBL9463770 0.77 KDM4E (0.47) NAAAMAPTALDH1A1CYP1A2HPGD
SCHEMBL2331459 0.77
SCHEMBL28417405 0.76 ALOX15 (0.42) TSHRCYP1A2CYP2C19LMNAKDM4E
SCHEMBL28412250 0.76 ALOX15 (0.42) TSHRCYP1A2CYP2C19LMNAKDM4E
SCHEMBL1829131 0.76 ALOX15 (0.42) TSHRCYP1A2CYP2C19LMNAKDM4E
SCHEMBL444679 0.75
SCHEMBL13933406 0.74 NAAA (0.38) TSHRNAAAMAPTALDH1A1CYP1A2

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-20230235169-A1 POLYMER RESIN COMPOUND, METHOD FOR PRODUCING SAME, AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME LG CHEM, LTD. (KR) 2023-07-27 US disclosed