SCHEMBL28291361

SCHEMBL28291361

Cc1ccccc1-c1ccc(C(=O)O)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
HPGD P15428 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
MYC P01106 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
IKBKB O14920 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MCL1 Q07820 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL27541892 0.81 KDM4E (0.43) MGAMKDM4ETDP1ALOX15TSHR
SCHEMBL19857471 0.76 KDM4E (0.48) MGAMKDM4ETDP1ALOX15TSHR
SCHEMBL31265696 0.76 KDM4E (0.52) KDM4EALOX15TSHRHPGDMYC
SCHEMBL698990 0.76 KDM4E (0.52) KDM4EALOX15TSHRHPGDMYC
Bicarbonate SCHEMBL8972762 0.73 MYC (0.54) KDM4ETSHRHPGDNR1H4MYC
SCHEMBL17595182 0.72 MCL1 (0.53) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL6342333 0.72 LMNA (0.50) MGAMKDM4ETDP1ALOX15TSHR
Cyclopropane SCHEMBL11658955 0.72 KDM4E (0.44) MGAMKDM4ETDP1ALOX15TSHR
SCHEMBL11907077 0.71 PLAU (0.48) HPGDNR1H4MYCMAPTALDH1A1
SCHEMBL6862190 0.71 MEN1 (0.54) KDM4ETDP1MAPTALDH1A1SMN1; SMN2

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-109796585-A A method of using the water-soluble nano material of three arm cross-linking methods preparation green light 陕西科技大学 2019-05-24 CN claimed
CN-109796585-A A method of using the water-soluble nano material of three arm cross-linking methods preparation green light 陕西科技大学 2019-05-24 CN disclosed