SCHEMBL28042691

SCHEMBL28042691

CS(=O)(=O)c1cc(C(=O)O)nc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
HIF1A Q16665 1/20 0.52
HCAR2 Q8TDS4 3/20 0.45
DAO P14920 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PTGS2 P35354 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ENPP2 Q13822 2/20 0.38
HCAR3 P49019 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL23978009 0.88 DAO (0.44) ALOX15TSHRHIF1AHCAR2DAO
SCHEMBL21200998 0.81 CBLB (0.43) ALOX15TSHRHIF1AHCAR2DAO
SCHEMBL20790368 0.76 KDM4E (0.53) HCAR2LMNAKDM4EAKR1C3AKR1C2
SCHEMBL30525023 0.76 KDM4E (0.53) HCAR2LMNAKDM4EAKR1C3AKR1C2
SCHEMBL6045222 0.74 ALOX15 (0.47) ALOX15TSHRHIF1ATDP1LMNA
SCHEMBL18503821 0.73 LCK (0.58) ALOX15TSHRHIF1ATDP1LMNA
SCHEMBL3185974 0.73 LCK (0.64) ALOX15TSHRHIF1ATDP1LMNA
SCHEMBL4247822 0.73 LMNA (0.43) LMNAKDM4EAKR1C3AKR1C2PTGS2
SCHEMBL12818268 0.72 MGAM (0.51) ALOX15TSHRTDP1LMNAKDM4E
SCHEMBL14136412 0.72 ALOX15 (0.61) ALOX15TSHRHIF1AHCAR2DAO

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-103923161-B A kind of method of protein pointed decoration NANKAI UNIVERSITY (CN) 2016-04-06 CN disclosed