SCHEMBL8974396

SCHEMBL8974396

COCOc1c(OC)cc(C=O)c2cccc(C(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
ERN1 O75460 5/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
SRC P12931 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
SCHEMBL8973784 0.86 ERN1 (0.41) MCL1TUBB1TDP1ALDH1A1KDM4E
SCHEMBL8973931 0.84 PTPN1 (0.42) MCL1TUBB1TDP1ALDH1A1KDM4E
SCHEMBL8974986 0.84 PTPN1 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8974999 0.84 PTPN1 (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8974298 0.83 MCL1 (0.38) MCL1TUBB1TDP1ALDH1A1KDM4E
SCHEMBL8974137 0.80 MCL1 (0.36) MCL1TUBB1TDP1ALDH1A1KDM4E
SCHEMBL8974651 0.79 MCL1 (0.54) MCL1TUBB1TDP1ALDH1A1KDM4E
SCHEMBL8974638 0.77 LMNA (0.40) MCL1ALDH1A1KDM4EERN1L3MBTL1
SCHEMBL1446630 0.76 CA1 (0.42) ALDH1A1TSHRERN1TLR2TLR1
SCHEMBL27519328 0.71 L3MBTL1 (0.37) MCL1TDP1ALDH1A1ERN1CYP2C9

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