SCHEMBL6658799

SCHEMBL6658799

O=C(OC(=O)C(O)C(O)C(=O)O)c1ccccc1.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 3/20 0.47
F2 P00734 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PRKCA P17252 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SLC1A5 Q15758 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6659868 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTP53LMNAF2
SCHEMBL8838858 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53LMNAF2
SCHEMBL436740 0.98 ALDH1A1 (0.52) ALDH1A1TSHRTP53LMNAF2
Water SCHEMBL27446036 0.96 ALDH1A1 (0.50) ALDH1A1TSHRTP53LMNAF2
Water SCHEMBL27446035 0.96 ALDH1A1 (0.50) ALDH1A1TSHRTP53LMNAF2
SCHEMBL6658466 0.92 ALDH1A1 (0.53) ALDH1A1TSHRTP53LMNAF2
SCHEMBL670258 0.92 ALDH1A1 (0.57) ALDH1A1TSHRTP53LMNAF2
SCHEMBL582331 0.92 ALDH1A1 (0.57) ALDH1A1TSHRTP53LMNAF2
SCHEMBL420405 0.92 ALDH1A1 (0.57) ALDH1A1TSHRTP53LMNAF2
SCHEMBL1162598 0.92 ALDH1A1 (0.57) ALDH1A1TSHRTP53LMNAF2

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
WO-2004010985-A1 PERSONAL DEODORANT BETTS JOHN ADRIAN (GB) 2004-02-05 WO disclosed