SCHEMBL11325829

SCHEMBL11325829

CC=CCN1C(=O)CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL21410483 0.91 FAAH (0.38) MEN1KMT2APOLBCA12CA2
SCHEMBL11560070 0.91 FAAH (0.38) MEN1KMT2APOLBCA12CA2
SCHEMBL29018429 0.78 MEN1 (0.36) MEN1KMT2APOLBCA12CA2
SCHEMBL9492198 0.78 MEN1 (0.36) MEN1KMT2APOLBCYP1A2CYP2C9
SCHEMBL6543606 0.75 PIK3CD (0.50) KMT2ABRD4BRD2LMNACYP1A2
SCHEMBL2560900 0.75 KMT2A (0.39) MEN1KMT2APOLBBRD4BRD2
SCHEMBL723082 0.73 POLB (0.43) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL9129409 0.72 L3MBTL1 (0.45) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL27542819 0.72 FAAH (0.36) MEN1KMT2APOLBFAAHMGLL
SCHEMBL2556429 0.70 MEN1 (0.35) MEN1KMT2APOLBBRD4BRD2

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
CN-117794936-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-03-29 CN disclosed
US-4295962-A Recovering copper by flotation using N-mercaptoalkyl amide depressant PHILLIPS PETROLEUM COMPANY (US) 1981-10-20 US disclosed