SCHEMBL10707440

SCHEMBL10707440

CCCCC1C=CC(=O)C1C(O)C=Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.38
▸ DNTT P04053 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ TRPA1 O75762 4/20 0.35
▸ NR4A2 P43354 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ UCHL3 P15374 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HSD17B2 P37059 1/20 0.34
▸ LMNA P02545 3/20 0.33

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
SCHEMBL10707437 1.00 HDAC3 (0.38) HDAC3DNTTELANETRPA1NR4A2
SCHEMBL11234415 0.77 HSD17B2 (0.35) HDAC3ELANEHDAC4HDAC1HDAC7
SCHEMBL11234417 0.77 HSD17B2 (0.35) HDAC3ELANEHDAC4HDAC1HDAC7
SCHEMBL9546137 0.73 L3MBTL1 (0.31) ELANEMAPTLMNAALDH1A1HPGD
SCHEMBL9546139 0.73 L3MBTL1 (0.31) ELANEMAPTLMNAALDH1A1HPGD
SCHEMBL10619340 0.73 DNTT (0.43) DNTTTRPA1NR4A2MAPTUCHL3
SCHEMBL301113 0.65 TRPA1 (0.47) HDAC3TRPA1MAPTEGFRLMNA
SCHEMBL160811 0.65 TRPA1 (0.47) HDAC3TRPA1MAPTEGFRLMNA
SCHEMBL8722881 0.64 EGFR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5858046 0.64 EGFR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0106576-B1 NOVEL 5-MEMBERED CYCLIC COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND PHARMACEUTICAL USE THEREOF TEIJIN LIMITED (JP) 1988-03-09 — — EP disclosed
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