SCHEMBL8308737

SCHEMBL8308737

O=C(O)CCCSC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
NR4A2 P43354 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.44
CYP2C19 P33261 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL8309337 0.88 NR4A2 (0.52) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7909243 0.88 KMT2A (0.49) ALDH1A1SMN1; SMN2MAPK1MAPTCYP2C19
SCHEMBL31131464 0.88 KMT2A (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11845525 0.87 L3MBTL1 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16047247 0.83 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPK1MAPTCYP2C19
SCHEMBL18257681 0.82 KMT2A (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15669215 0.81 ALDH1A1 (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15403210 0.81 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPK1MAPTL3MBTL1
SCHEMBL20565315 0.81 KMT2A (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6057163 0.81 ALDH1A1 (0.57) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed