SCHEMBL13476143

SCHEMBL13476143

COc1ccc(C=Nc2ccc(/C=C/C(C)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.63
F3 P13726 2/20 0.57
PTGS2 P35354 2/20 0.56
PTGS1 P23219 1/20 0.56
CA12 O43570 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
THRB P10828 1/20 0.55
ATM Q13315 1/20 0.55
GSK3B P49841 2/20 0.54
HDAC1 Q13547 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
BACE1 P56817 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL4330111 0.88 THRB (0.73) S100BF3PTGS2PTGS1CA12
SCHEMBL12416602 0.88 THRB (0.73) S100BF3PTGS2PTGS1CA12
SCHEMBL872010 0.86 F3 (0.75) F3THRBATMGSK3BHDAC1
SCHEMBL872009 0.86 F3 (0.75) F3THRBATMGSK3BHDAC1
SCHEMBL26124951 0.86 F3 (0.75) F3THRBATMGSK3BHDAC1
SCHEMBL27220166 0.82 S100B (0.72) S100BF3PTGS2PTGS1CA12
SCHEMBL2451632 0.82 CA12 (0.56) S100BF3PTGS2PTGS1CA12
SCHEMBL27220368 0.82 S100B (0.72) S100BF3PTGS2PTGS1CA12
SCHEMBL2451638 0.82 CA12 (0.56) S100BF3PTGS2PTGS1CA12
SCHEMBL2451637 0.82 CA12 (0.56) S100BF3PTGS2PTGS1CA12

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-20100025641-A1 INFRARED REGION SELECTIVE REFLECTION COAT AND INFRARED REGION SELECTIVE REFLECTION FILM FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed