SCHEMBL9003708

SCHEMBL9003708

CC=C(CCC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.57
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
FFAR1 O14842 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9003706 1.00 NR4A2 (0.57) NR4A2ALDH1A1GAACYP2C19HDAC1
SCHEMBL15834918 0.82 ALDH1A1 (0.46) NR4A2ALDH1A1GAACYP2C19HDAC1
SCHEMBL28725513 0.81 HDAC1 (0.52) NR4A2ALDH1A1GAAHDAC1HDAC2
SCHEMBL6438248 0.78 HDAC1 (0.44) HDAC1HDAC2HDAC3LMNANCOR2
SCHEMBL6438252 0.78 HDAC1 (0.44) HDAC1HDAC2HDAC3LMNANCOR2
SCHEMBL6438249 0.78 HDAC1 (0.44) HDAC1HDAC2HDAC3LMNANCOR2
SCHEMBL7803887 0.78 CES2 (0.50) HDAC1HDAC2HDAC3LMNASMN1; SMN2
SCHEMBL7803886 0.78 CES2 (0.50) HDAC1HDAC2HDAC3LMNASMN1; SMN2
SCHEMBL24158278 0.78 NR4A2 (0.47) NR4A2ALDH1A1GAACYP2C19HDAC1
SCHEMBL10625767 0.77 HDAC1 (0.42) NR4A2ALDH1A1HDAC1HDAC2HDAC3

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
JP-8231526-A None JP disclosed
JP-H08231526-A FLUOROLACTONE AND ITS PRODUCTION CHICHIBU ONODA CEMENT CORP 1996-09-10 JP disclosed