SCHEMBL84097

SCHEMBL84097

CCC(C)C(O)C(O)C(O)CC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL16480336 0.91 TSHR (0.44) TSHRTRPA1ALDH1A1TDP1MME
SCHEMBL106965 0.91 TSHR (0.44) TSHRTRPA1ALDH1A1TDP1MME
SCHEMBL16480337 0.91 TSHR (0.44) TSHRTRPA1ALDH1A1TDP1MME
SCHEMBL16280836 0.91 TSHR (0.44) TSHRTRPA1ALDH1A1TDP1MME
SCHEMBL108664 0.87 TSHR (0.53) TSHRTRPA1LMNAALDH1A1TDP1
SCHEMBL12409518 0.84 TSHR (0.47) TSHRTRPA1LMNAL3MBTL1ALDH1A1
SCHEMBL15496474 0.84 TSHR (0.47) TSHRTRPA1LMNAL3MBTL1ALDH1A1
SCHEMBL414431 0.84 TSHR (0.47) TSHRTRPA1LMNAL3MBTL1ALDH1A1
SCHEMBL15889665 0.83 LMNA (0.43) TSHRTRPA1LMNAL3MBTL1TDP1
SCHEMBL13893015 0.83 LMNA (0.43) TSHRTRPA1LMNAL3MBTL1TDP1

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-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 US disclosed