SCHEMBL10967161

SCHEMBL10967161

COc1ccc(-c2ccccc2-c2cc2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.67
ABCB1 P08183 2/20 0.67
BCR P11274 2/20 0.67
HDAC4 P56524 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
GSTP1 P09211 2/20 0.55
PTPN1 P18031 1/20 0.53
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 4/20 0.51
TSHR P16473 2/20 0.51
PTGS2 P35354 2/20 0.50
MAOB P27338 2/20 0.50
BACE1 P56817 1/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
AGTR1 P30556 1/20 0.50

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
SCHEMBL11096260 0.88 ABL1 (0.76) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL13211674 0.86 ABL1 (0.74) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL22721784 0.86 GSTP1 (0.70) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL12715050 0.85 ABL1 (0.79) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL13211660 0.84 ABL1 (0.84) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL16812115 0.82 HDAC4 (0.71) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL10843928 0.81 PTPN1 (0.58) ABCB1HDAC4HDAC2HDAC8GSTP1
SCHEMBL11819228 0.81 ABL1 (0.73) ABL1ABCB1BCRHDAC4HDAC2
Hydrogen Sulfide SCHEMBL27457713 0.79 ABL1 (0.70) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL14524439 0.78 ABL1 (0.62) ABL1ABCB1BCRHDAC4HDAC2

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
EP-0068880-B1 PHOTOGRAPHIC ELEMENTS CAPABLE OF PROVIDING OXOINDOLIZINE AND OXOINDOLIZINIUM DYE COMPOUNDS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-08-07 EP claimed