SCHEMBL9469474

SCHEMBL9469474

Cc1ccc(C2OC2(C)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC4 P56524 1/20 0.37
GAA P10253 1/20 0.36
MAOB P27338 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX12 P18054 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CPB1 P15086 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 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
SCHEMBL329169 0.85 KMT2A (0.40) MAPK1SMN1; SMN2CYP3A4MAOBMAPT
SCHEMBL8373373 0.81 EDNRA (0.43) ALDH1A1SMN1; SMN2GAAMAOBLMNA
SCHEMBL8776894 0.81 EDNRA (0.43) ALDH1A1SMN1; SMN2GAAMAOBLMNA
SCHEMBL9750486 0.81 EDNRA (0.43) ALDH1A1SMN1; SMN2GAAMAOBLMNA
SCHEMBL28247167 0.80 MEN1 (0.50) MAPK1ALDH1A1GAAMAOBLMNA
SCHEMBL28247789 0.80 MEN1 (0.50) MAPK1ALDH1A1GAAMAOBLMNA
SCHEMBL16109082 0.78 USP2 (0.42) ALDH1A1HDAC4MAOBLMNAMAPT
SCHEMBL16108695 0.77 GPR119 (0.35) ALDH1A1SMN1; SMN2GAAMAOBLMNA
SCHEMBL16109999 0.77 CHRNA1 (0.37) ALDH1A1SMN1; SMN2HDAC4GAALMNA
SCHEMBL16109753 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2GAALMNAMAPT

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-5244803-A Stereoselective hydrolysis by microorganism in culture TANABE SEIYAKU CO., LTD. (JP) 1993-09-14 US disclosed