SCHEMBL8974378

SCHEMBL8974378

COCOc1ccc(CO)c2cccc(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
CLCN2 P51788 1/20 0.32
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8974210 0.78 PTPN1 (0.32) PTPN1KDM4EALOX12NPC1HTT
SCHEMBL14193607 0.78 PDCD1 (0.45) PDCD1CD274ATP4AATP4BKDM4E
SCHEMBL8974794 0.77 PTPN1 (0.44) PTPN1PDCD1CD274ATP4AATP4B
SCHEMBL8973912 0.77 PTPN1 (0.40) PTPN1EGFRKDM4ELMNAMAPT
SCHEMBL27309737 0.72 PTPN1 (0.40) PTPN1CLCN2KDM4EMAPTTSHR
SCHEMBL9859837 0.72 PTPN1 (0.54) PTPN1PDCD1CD274CYP1A2KDM4E
SCHEMBL3903483 0.72 PDCD1 (0.44) PTPN1PDCD1CD274EGFRLMNA
SCHEMBL12454829 0.72 CYP1A2 (0.50) PTPN1CYP1A2CYP2A6GAASMN1; SMN2
SCHEMBL28024302 0.71 PTPN1 (0.45) PTPN1CYP1A2CYP2A6KDM4ELMNA
SCHEMBL2048597 0.70 EGFR (0.41) PTPN1EGFRCYP1A2KDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527948-A SUBSTITUTED NAPHTHYL-ALKENOIC ACIDS FOR TREATING AUTOIMMUNE DISORDERS EISAI CORP. LTD. (JP) 1996-06-18 US disclosed
CN-1027064-C Naphthalene derivatives EISAI CO LTD (JP) 1994-12-21 CN disclosed
US-5298649-A Antiinflammatory agents, rheumatic agents and treatment of autoimmune diseases EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0376288-B1 Naphthalene derivative EISAI CO LTD (JP) 1994-03-09 EP disclosed
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed
CN-1043696-A NAPHTHALENE DERIVATIVES EISAI CO LTD (JP) 1990-07-11 CN disclosed
EP-0376288-A1 Naphthalene derivative Eisai Co., Ltd. (JP) 1990-07-04 EP disclosed