SCHEMBL27769201

SCHEMBL27769201

CCCCCCCC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.56
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DGKA P23743 1/20 0.41

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
SCHEMBL39477 1.00 VCAM1 (0.56) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL27769174 1.00 VCAM1 (0.56) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL27747905 1.00 VCAM1 (0.56) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL7155322 1.00 VCAM1 (0.56) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL11347714 1.00 VCAM1 (0.56) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL5027033 0.98 VCAM1 (0.55) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL8910334 0.95 CA1 (0.55) VCAM1KMT2ASMN1; SMN2CA1CA2
SCHEMBL28853602 0.94 VCAM1 (0.54) VCAM1KMT2ACA1CA2GAA
SCHEMBL1577556 0.94 VCAM1 (0.61) VCAM1SMN1; SMN2CA1CA2GAA
SCHEMBL38445 0.92 VCAM1 (0.60) VCAM1SMN1; SMN2CA1CA2GAA

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-101484560-B Refrigerator oil, compressor oil composition, hydraulic working oil composition, metal working oil composition, heat treatment oil composition, lubricating oil composition for machine tool, and lubricating oil composition NIPPON OIL CORP 2013-03-27 CN disclosed
CN-101484560-A Refrigerator oil, compressor oil composition, hydraulic working oil composition, metal working oil composition, heat treatment oil composition, lubricating oil composition for machine tool, and lubricating oil composition NIPPON OIL CORP (JP) 2009-07-15 CN disclosed