SCHEMBL21643869

SCHEMBL21643869

CCCC(=O)C=C(O)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
FFAR3 O14843 3/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.36
AKR1B1 P15121 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
GPR84 Q9NQS5 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 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
SCHEMBL11984987 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL27577841 0.81
SCHEMBL3939667 0.81
SCHEMBL3939673 0.81
SCHEMBL12506803 0.80 CES1 (0.46) CES2CES1TSHRALDH1A1AKR1B1
SCHEMBL12168635 0.79
SCHEMBL28063791 0.79
SCHEMBL12296749 0.77 PPARG (0.54) CES2CES1TSHRALDH1A1AKR1B1
SCHEMBL11154056 0.76 CES2 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL4391467 0.76

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
US-20200041898-A1 RADIATION-SENSITIVE COMPOSITION AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2020-02-06 US disclosed