Crotonic Acid

Crotonic Acid

SCHEMBL28122011

C=CC(=O)OC(CCCC)C(=O)O.CC=CC(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
HCAR2 Q8TDS4 6/20 0.37
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL93257 0.89 TSHR (0.50) TSHRHPGDACHEBACE1CA2
Phosphoric Acid SCHEMBL17294769 0.84 TSHR (0.45) TSHRHPGDCA2MAPK1THRB
SCHEMBL22022842 0.83 GPR84 (0.46) TSHRHPGDCA2THRB
SCHEMBL4230335 0.82 GPR84 (0.44) TSHRHPGDCA2THRB
SCHEMBL4641787 0.80 TSHR (0.41) TSHRHPGDMAPK1THRBPPARG
Phosphoric Acid SCHEMBL17294804 0.78 SMPD1 (0.41) TSHRHPGD
SCHEMBL27620077 0.78 TSHR (0.49) TSHRHPGDACHEBACE1HCAR2
SCHEMBL28240246 0.75 TSHR (0.49) TSHRHPGDCA2MAPK1THRB
SCHEMBL1061913 0.75 TSHR (0.49) TSHRHPGDCA2MAPK1THRB
SCHEMBL9578994 0.74 TSHR (0.54) TSHRHPGDCA2MAPK1THRB

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
CN-103045115-B Pressure-sensitive tape film and pressure-sensitive tape 日东电工株式会社 2016-12-21 CN disclosed