SCHEMBL9017777

SCHEMBL9017777

CCCCC(=O)OC(O)(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.39
DGKA P23743 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35
DUSP3 P51452 1/20 0.35
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
TSHR P16473 3/20 0.34
GPR84 Q9NQS5 3/20 0.34

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
SCHEMBL11564625 0.77 CA1 (0.46) PAMDGKACES2CES1LMNA
SCHEMBL11565466 0.77 CES1 (0.46) PAMDGKACES2CES1LMNA
SCHEMBL10408354 0.75 CES1 (0.44) PAMDGKACES2CES1MEN1
SCHEMBL11285973 0.74 CES1 (0.48) PAMDGKACES2CES1LMNA
SCHEMBL11509336 0.74 CES1 (0.42) PAMDGKACES2CES1LMNA
SCHEMBL9507153 0.73 DGKA (0.52) PAMDGKAMEN1KMT2AHSD17B10
SCHEMBL9017716 0.73 GAA (0.38) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL1003368 0.73 CES1 (0.46) PAMDGKACES2CES1LMNA
SCHEMBL17010847 0.72 LMNA (0.47) PAMDGKACES2CES1MEN1
SCHEMBL7052204 0.72 DGKA (0.50) PAMDGKACES2CES1LMNA

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-8113795-A None JP disclosed
JP-H08113795-A PERFUME COMPOSITION T HASEGAWA CO LTD 1996-05-07 JP disclosed