SCHEMBL13985404

SCHEMBL13985404

CCCCOc1ccc2nc3ccccc3c(C(=O)O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
ITGB1 P05556 1/20 0.53
ITGA4 P13612 1/20 0.53
PLA2G2A P14555 2/20 0.52
PDE10A Q9Y233 2/20 0.52
PTPN11 Q06124 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL12943042 0.88 PLA2G2A (0.58) DHODHPLA2G2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13985407 0.85 ITGB1 (0.49) DHODHITGB1ITGA4PLA2G2APDE10A
SCHEMBL4796184 0.83 HDAC3 (0.56) KDM4EALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL3036200 0.82 KDM4E (0.56) DHODHPLA2G2APDE10AKDM4EALDH1A1
SCHEMBL13633717 0.82 PDE10A (0.42) DHODHITGB1ITGA4PLA2G2APDE10A
SCHEMBL3908402 0.81 CYSLTR2 (0.51) DHODHPLA2G2A
SCHEMBL29042714 0.78 ESR1 (0.55) DHODHPLA2G2APDE10AKDM4EALDH1A1
SCHEMBL30496184 0.78 ESR1 (0.55) DHODHPLA2G2APDE10AKDM4EALDH1A1
SCHEMBL3968662 0.78 DHODH (0.43) DHODHITGB1ITGA4PLA2G2APDE10A
SCHEMBL10091837 0.77 APP (0.47) DHODHKDM4EALDH1A1SMN1; SMN2HPGD

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-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed