SCHEMBL29614441

SCHEMBL29614441

CC(C)(C)CCCCCC(=O)OOC(C)(C)c1ccccc1.CCCCCCCCC(C(=O)OO)C(C)(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
HDAC8 Q9BY41 4/20 0.33
HDAC3 O15379 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PPARA Q07869 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
POLM Q9NP87 1/20 0.32
POLK Q9UBT6 1/20 0.32
POLL Q9UGP5 1/20 0.32

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
SCHEMBL38652251 0.96 MAPK1 (0.32) PPARGALDH1A1
SCHEMBL30478441 0.86 ALDH1A1 (0.32) PPARGKDM4EMEN1RECQLKMT2A
SCHEMBL786199 0.82 ALDH1A1 (0.45) PPARGHDAC8HDAC3HDAC6MEN1
SCHEMBL168725 0.82 RIPK1 (0.36) KMT2AALDH1A1
SCHEMBL2707979 0.81 ALDH1A1 (0.43) HDAC6KDM4EMEN1RECQLKMT2A
SCHEMBL216989 0.81 MAPK1 (0.44) KMT2AALDH1A1HDAC1HDAC2PRSS1
SCHEMBL29849003 0.80 PPARG (0.34) PPARG
SCHEMBL28707657 0.80 MAPK1 (0.46) KDM4EMEN1RECQLKMT2A
SCHEMBL28543060 0.80 MAPK1 (0.46) KDM4EMEN1RECQLKMT2A
SCHEMBL30138490 0.80 MAPK1 (0.46) KDM4EMEN1RECQLKMT2A

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
CN-111295398-B Chemical polymerization initiator, adhesive composition, kit thereof, method for storing adhesive composition, dental material, and kit thereof 德山齿科株式会社 2022-04-26 CN disclosed