SCHEMBL8791602

SCHEMBL8791602

CCCCOc1ccsc1-c1nnnn1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 4/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8791593 0.83 HSD11B1 (0.36) KMT2ATSHRALDH1A1MEN1CYP1A2
SCHEMBL8791414 0.81 ALDH1A1 (0.43) L3MBTL1KMT2AHTTALDH1A1HPGD
SCHEMBL8791221 0.76 PIK3C3 (0.36) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL8791570 0.73 KMT2A (0.33) L3MBTL1KMT2AHTTTSHRUSP2
SCHEMBL8791028 0.71 KMT2A (0.32) KMT2ATSHRALDH1A1MEN1KDM4E
SCHEMBL8791208 0.70 MAPK8 (0.34) HTTALDH1A1HPGDNPSR1
SCHEMBL8790766 0.70 KMT2A (0.48) KMT2ATSHRALDH1A1CYP1A2CYP2C9
SCHEMBL8790392 0.68 MAPK8 (0.33) TSHRALDH1A1HSD17B10MAPT
SCHEMBL8792325 0.68 MAPK8 (0.33) ALDH1A1
SCHEMBL8520184 0.67 MAPT (0.40) L3MBTL1KMT2ATSHRALDH1A1MEN1

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
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
US-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed