SCHEMBL8955394

SCHEMBL8955394

CC#CO/[C]=C/c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
AKR1C3 P42330 1/20 0.32
TRPA1 O75762 1/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4232719 0.78 TRPA1 (0.41) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL4447291 0.78 TRPA1 (0.41) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL2287959 0.78 TRPA1 (0.41) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL4333668 0.70 ALDH1A1 (0.38) ALDH1A1TSHRAKR1C3TRPA1GLA
SCHEMBL11593482 0.69 TDP1 (0.44) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL123464 0.69
SCHEMBL2939273 0.69
SCHEMBL207317 0.69
SCHEMBL7667578 0.68 RELA (0.42) ALDH1A1TSHRTRPA1MEN1KMT2A
SCHEMBL9823821 0.68 NFE2L2 (0.32) ALDH1A1TSHRIDO1MAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541169-A FUNGICIDES KOWA COMPANY, LTD. (JP) 1996-07-30 US disclosed
EP-0632021-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1995-01-04 EP disclosed