SCHEMBL8974780

SCHEMBL8974780

COCOc1c(OC)ccc2cccc(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 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
SCHEMBL10456778 0.87 SMN1; SMN2 (0.46) PTPN1SMN1; SMN2MAPTGAAL3MBTL1
SCHEMBL8974149 0.82 KDM4E (0.38) PTPN1SMN1; SMN2MAPTGAAL3MBTL1
SCHEMBL9025097 0.80 HTR1A (0.47) SMN1; SMN2ALDH1A1POLBHTR1AADRA1D
SCHEMBL8974775 0.80 SMN1; SMN2 (0.36) SMN1; SMN2MAPTGAAALDH1A1KDM4E
SCHEMBL8974841 0.77 SMN1; SMN2 (0.41) SMN1; SMN2MAPTGAAL3MBTL1RAB9A
SCHEMBL31459762 0.76 MAPT (0.55) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL28586196 0.75 SMN1; SMN2 (0.65) PTPN1SMN1; SMN2MAPTGAAL3MBTL1
SCHEMBL13594738 0.73 PTPN1 (0.61) PTPN1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL8974794 0.73 PTPN1 (0.44) PTPN1MAPTGAAL3MBTL1RAB9A
SCHEMBL13409419 0.72 CA12 (0.46) SMN1; SMN2MAPTGAAL3MBTL1RAB9A

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