SCHEMBL9154315

SCHEMBL9154315

CCCCCCCCOc1ccc(Oc2c(N)c3c(c(N)c2Oc2ccc(OCCCCCCCC)cc2)C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.52
▸ PTPN1 P18031 2/20 0.47
▸ KCNA3 P22001 1/20 0.45
▸ GPR174 Q9BXC1 1/20 0.44
▸ PTPN11 Q06124 1/20 0.43
▸ NR5A1 Q13285 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 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
SCHEMBL22415206 0.84 MAPT (0.41) PTPN1MEN1MAPTKMT2APOLB
SCHEMBL17342970 0.83 PTPN1 (0.46) PTPN1KCNA3TSHRMEN1MAPT
SCHEMBL17342974 0.83 MAPT (0.43) PTPN1TSHRMEN1MAPTKMT2A
SCHEMBL28598504 0.78 KCNA3 (0.67) LTA4HPTPN1KCNA3PTPN11MEN1
SCHEMBL9159370 0.78 MMP14 (0.40) TP53MEN1MAPTKMT2APOLB
SCHEMBL17342972 0.78 CES2 (0.53) TSHRMEN1MAPTKMT2APOLB
SCHEMBL92433 0.77 MEN1 (0.63) TSHRMEN1MAPTKMT2APOLB
SCHEMBL11672748 0.76 P2RY2 (0.56) CDC25B
SCHEMBL9642876 0.75 PTPN1 (0.64) LTA4HPTPN1PTPN11TSHRTP53
SCHEMBL11759470 0.75 MAPT (0.55) TSHRMEN1MAPTKMT2APOLB

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
EP-0330487-B1 Color toner composition MITSUI TOATSU CHEMICALS (JP) 1995-01-25 — — EP disclosed
US-4954410-A Amino and phenoxy or thiophenoxy substituted anthraquinone dyes MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-09-04 — — US disclosed
EP-0330487-A2 Color toner composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 — — EP disclosed
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