SCHEMBL29138961

SCHEMBL29138961

CCCCCCCC=CCCC=CCCCCCC(C)(C)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.82
TOP1 P11387 3/20 0.58
TERT O14746 3/20 0.55
PTPN1 P18031 3/20 0.55
PPARG P37231 3/20 0.55
PPARD Q03181 3/20 0.55
PPARA Q07869 3/20 0.55
BLM P54132 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPT P10636 2/20 0.55
FABP4 P15090 2/20 0.55
GMNN O75496 2/20 0.55
USP2 O75604 2/20 0.55
CYP1A2 P05177 2/20 0.55
POLB P06746 2/20 0.55
CYP2C9 P11712 2/20 0.55
APEX1 P27695 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 2/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL1340692 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL6237605 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL6498499 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL3628647 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL3628649 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL28101613 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL1340693 0.98 ACLY (0.85) ACLYTOP1TERTPTPN1PPARG
SCHEMBL13735034 0.93 ACLY (0.77) ACLYPPARGPPARDPPARABLM
SCHEMBL3626408 0.93 ACLY (0.77) ACLYPPARGPPARDPPARABLM
SCHEMBL11863724 0.93 ACLY (0.77) ACLYPPARGPPARDPPARABLM

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-218741902-U Continuous reaction device for carboxylic ester intermediate 武汉青江化工黄冈有限公司 2023-03-28 CN disclosed