SCHEMBL445242

SCHEMBL445242

C=C(C)C(=O)NCC(CCCCC)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CA2 P00918 1/20 0.34
BIRC2 Q13490 1/20 0.34
MMP2 P08253 6/20 0.33
MMP3 P08254 6/20 0.33
MMP1 P03956 4/20 0.33
TSHR P16473 2/20 0.33
MMP7 P09237 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
ZDHHC7 Q9NXF8 1/20 0.33
GPR84 Q9NQS5 3/20 0.33

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
SCHEMBL440561 0.79 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL443990 0.79 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL442618 0.79 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL6117766 0.79 LMNA (0.42) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL23903262 0.78 MEN1 (0.34)
SCHEMBL439287 0.78 ACE2 (0.46) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL442233 0.78 ACE2 (0.46) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL440272 0.78 LMNA (0.41) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL442232 0.78 LMNA (0.37) LCKPPARDZDHHC20ZDHHC2THRA
SCHEMBL804973 0.77 TGFBR1 (0.33)

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
US-8835368-B2 Compounds and a method of lubricating an internal combustion engine THE LUBRIZOL CORPORATION (US) 2014-09-16 US disclosed
US-20120065110-A1 Compounds and a Method of Lubricating an Internal Combustion Engine THE LUBRIZOL CORPORATION (US) 2012-03-15 US disclosed