SCHEMBL8974651

SCHEMBL8974651

COCOc1c(OC)cc(C=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
ERN1 O75460 6/20 0.41
TUBB1 Q9H4B7 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRKDC P78527 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 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
SCHEMBL8973784 0.85 ERN1 (0.41) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL1002837 0.84 MCL1 (0.68) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL8973873 0.84 MCL1 (0.51) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL8973931 0.82 PTPN1 (0.42) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL8974298 0.81 MCL1 (0.38) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL8974396 0.79 MCL1 (0.36) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL8974137 0.79 MCL1 (0.36) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL3213856 0.75 SRC (0.56) ALDH1A1KDM4ETSHRERN1NPC1
SCHEMBL31346762 0.74 MCL1 (0.58) MCL1ALDH1A1TDP1KDM4ETSHR
SCHEMBL1506977 0.74 MCL1 (0.58) MCL1ALDH1A1TDP1KDM4ETSHR

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