SCHEMBL30804388

SCHEMBL30804388

CCOc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 7/20 0.55
HPGD P15428 7/20 0.55
ALDH1A1 P00352 6/20 0.55
PMP22 Q01453 1/20 0.54
DRD3 P35462 1/20 0.47
PIM1 P11309 1/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
BRD4 O60885 1/20 0.47
HTT P42858 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.45
ATP6V1B2 P21281 1/20 0.45
TBXA2R P21731 1/20 0.45
EDNRA P25101 1/20 0.45
TARBP2 Q15633 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL29161420 1.00 KDM4E (0.55) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL500816 0.85 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL30843076 0.85 KDM4E (0.61) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL10330759 0.83 KDM4E (0.59) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL10741852 0.83 KDM4E (0.59) KDM4EHSD17B10HPGDALDH1A1PMP22
Fluoride SCHEMBL6756478 0.83 KDM4E (0.59) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL8503513 0.82 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1PMP22
SCHEMBL28331817 0.82 TOP2A (0.60) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL6756481 0.81 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1PMP22
Oxalic Acid SCHEMBL27853160 0.81 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1PMP22

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
CN-117624046-A Synthesis method of ethoxylomefloxacin 江苏吉贝尔药业股份有限公司 2024-03-01 CN disclosed