SCHEMBL28041757

SCHEMBL28041757

Cc1cccc(C(=O)O)n1.[O]Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
P2RX7 Q99572 1/20 0.51
GRM5 P41594 1/20 0.45
MGAM O43451 1/20 0.43
CTSA P10619 2/20 0.43
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.42
ECE1 P42892 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL118409 0.86 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL5685849 0.84 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31474569 0.84 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL2298503 0.84 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL17371709 0.82 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2801582 0.78 P2RX7 (0.53) KDM4EP2RX7GRM5CTSALMNA
SCHEMBL6248220 0.75 CYP1A2 (0.72) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2841904 0.75 ECE1 (0.63) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3946632 0.74 HPGD (0.68) KDM4EP2RX7GRM5ALDH1A1HPGD
SCHEMBL17485944 0.74 CYP1A2 (0.56) KDM4ETSHRTDP1P2RX7LMNA

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
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 CN disclosed
CN-103958521-A Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN disclosed
CN-103958475-A Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN disclosed