SCHEMBL8974794

SCHEMBL8974794

COCOc1c(OC)cc(CO)c2cccc(C)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35

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
SCHEMBL8974489 0.80 ABCB1 (0.35) PTPN1ABCB1ABCC1ABCG2
SCHEMBL8973931 0.79 PTPN1 (0.42) PTPN1TUBB1MCL1MAPTL3MBTL1
SCHEMBL8974378 0.77 PTPN1 (0.41) PTPN1PDCD1CD274ATP4AATP4B
SCHEMBL9859837 0.75 PTPN1 (0.54) PTPN1PDCD1CD274KMT2ASCN8A
SCHEMBL6550190 0.73 SMN1; SMN2 (0.47) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8974780 0.73 PTPN1 (0.46) PTPN1KMT2ASCN8AGAAMAPT
SCHEMBL14193607 0.70 PDCD1 (0.45) PDCD1CD274ATP4AATP4BPDE4A
SCHEMBL12773158 0.69 PTPN1 (0.43) PTPN1PDCD1CD274ATP4AATP4B
SCHEMBL8973940 0.69 MAPT (0.41) PTPN1KMT2AGAAMAPTRAB9A
SCHEMBL30566658 0.68 PTPN1 (0.46) PTPN1PDCD1CD274L3MBTL1

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 5 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
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
EP-0376288-A1 Naphthalene derivative Eisai Co., Ltd. (JP) 1990-07-04 EP disclosed