SCHEMBL8910334

SCHEMBL8910334

CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
VCAM1 P19320 8/20 0.52
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACAT1 P24752 1/20 0.41
SOAT1 P35610 1/20 0.41
PTGS2 P35354 1/20 0.40
TOP2A P11388 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL27747905 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL27769174 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL7155322 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL11347714 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL27769201 0.95 VCAM1 (0.56) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL5027033 0.93 VCAM1 (0.55) CA1CA2VCAM1KMT2ASMN1; SMN2
SCHEMBL28853602 0.89 VCAM1 (0.54) CA1CA2VCAM1KMT2APTGS2
SCHEMBL1577556 0.89 VCAM1 (0.61) CA1CA2VCAM1SMN1; SMN2MAPT
SCHEMBL38445 0.87 VCAM1 (0.60) CA1CA2VCAM1SMN1; SMN2MAPT

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
US-5597854-A PHOTOGRAPHIC APPLICATIONS, COATINGS, BINDERS, POLYMERS, TRIAZINE OR PYRIMIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed