SCHEMBL26597293

SCHEMBL26597293

CCCCCCCCCCC(CCCCCCCC)CC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HDAC8 Q9BY41 6/20 0.43
HDAC3 O15379 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MMP2 P08253 3/20 0.42
MMP3 P08254 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL26597305 0.88 HDAC8 (0.44) PRSS1PRSS2PRSS3HDAC8HDAC3
SCHEMBL30309916 0.85 PRSS1 (0.51) PRSS1PRSS2PRSS3HDAC8HDAC3
SCHEMBL8757648 0.84 PRSS1 (0.40) PRSS1PRSS2PRSS3HDAC8HDAC3
SCHEMBL8758032 0.83 PRSS1 (0.45) PRSS1PRSS2PRSS3HDAC8HDAC3
SCHEMBL6182092 0.81 ACACB (0.50) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL6181498 0.81 ACACB (0.50) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL8758364 0.81 HDAC3 (0.39) PRSS1PRSS2PRSS3HDAC8HDAC3
SCHEMBL29456136 0.81 GAA (0.44) ALDH1A1
SCHEMBL3242856 0.81 GAA (0.44) ALDH1A1
SCHEMBL6344599 0.81 GAA (0.44) ALDH1A1

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-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP claimed