SCHEMBL4732744

SCHEMBL4732744

O=Cc1ccc(C(O)O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.43
KDM4E B2RXH2 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL28926953 0.84 ALDH1A1 (0.47) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL5596655 0.82 ALDH1A1 (0.45) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL22289270 0.77 ALDH1A1 (0.46) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL28975670 0.77 ALDH1A1 (0.41) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL10147239 0.76 GAA (0.48) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL6495189 0.76 ALDH1A1 (0.43) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL9223127 0.76 ALDH1A1 (0.44) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL51391 0.76
SCHEMBL28556905 0.73 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL28576319 0.73 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057220-A2 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-15 WO claimed
US-20080103340-A1 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-01 US claimed
CN-101809145-B Polypeptide having NADH dependent HMF reductase activity BAERBEL HAHN AB 2014-12-03 CN disclosed
WO-2008057220-A2 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-15 WO disclosed
US-20080103340-A1 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-01 US disclosed