SCHEMBL23829938

SCHEMBL23829938

[2H]C([2H])([2H])Oc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 7/20 0.58
HSD17B10 Q99714 6/20 0.58
HPGD P15428 6/20 0.58
ESR1 P03372 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
TSHR P16473 1/20 0.58
GGT1 P19440 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
BLM P54132 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.52
PDE3A Q14432 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL29365231 0.85 HTT (0.78) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3527 0.85 HTT (0.78) HTTKDM4EALDH1A1HSD17B10HPGD
Phthalic Acid SCHEMBL8680432 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10404879 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL238308 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL4236548 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Fluoride SCHEMBL3190250 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL21517635 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL22437491 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL29943714 0.83 HTT (0.75) HTTKDM4EALDH1A1HSD17B10HPGD

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-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed