SCHEMBL22472222

SCHEMBL22472222

CCCCCCCC/C=C\CCCCCCCCCCC(N)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
SPHK1 Q9NYA1 3/20 0.53
GMNN O75496 2/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 2/20 0.53
POLB P06746 2/20 0.53
THRB P10828 2/20 0.53
CETP P11597 2/20 0.53
MAPK1 P28482 2/20 0.53
CXCR5 P32302 2/20 0.53
CCR6 P51684 2/20 0.53
BLM P54132 2/20 0.53
UBE2N P61088 2/20 0.53
SPHK2 Q9NRA0 2/20 0.53
CYP2D6 P10635 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL4602226 1.00 MEN1 (0.53) MEN1KMT2AMAPTSPHK1GMNN
SCHEMBL2800713 0.94 KDM4E (0.56) LMNAALDH1A1ALOX15CYP3A4SOAT1
SCHEMBL10814501 0.88 SPHK1 (0.50) MEN1KMT2AMAPTSPHK1GMNN
SCHEMBL23140 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL17202063 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL9801241 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL8016796 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL1072718 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL9801585 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB
SCHEMBL1850024 0.87 SPHK1 (0.62) MAPTSPHK1GMNNLMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574152-B Water soluble metalworking oil compositions 出光兴产株式会社 2023-03-21 CN disclosed
CN-113574152-A Water soluble metalworking oil compositions 出光兴产株式会社 2021-10-29 CN disclosed
WO-2020196585-A1 WATER-SOLUBLE METAL PROCESSING OIL COMPOSITION 出光興産株式会社 2020-10-01 WO disclosed