SCHEMBL8974137

SCHEMBL8974137

CCCc1cccc2c(C=O)cc(OC)c(OCOC)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
ERN1 O75460 6/20 0.35
TUBB1 Q9H4B7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
ADRB2 P07550 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABCB1 P08183 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL8974298 0.92 MCL1 (0.38) MCL1ERN1TUBB1ALDH1A1TDP1
SCHEMBL8973784 0.85 ERN1 (0.41) MCL1ERN1TUBB1ALDH1A1TDP1
SCHEMBL8973830 0.84 PTPN1 (0.34) ALDH1A1KDM4E
SCHEMBL8973833 0.84 PTPN1 (0.34) ALDH1A1KDM4E
SCHEMBL8973970 0.84 PTPN1 (0.34) ALDH1A1KDM4E
SCHEMBL8974638 0.83 LMNA (0.40) MCL1ERN1ALDH1A1KDM4EL3MBTL1
SCHEMBL8973931 0.83 PTPN1 (0.42) MCL1ERN1TUBB1ALDH1A1TDP1
SCHEMBL27519328 0.82 L3MBTL1 (0.37) MCL1ERN1ALDH1A1TDP1L3MBTL1
SCHEMBL8974946 0.81 ERN1 (0.46) ERN1TLR2TLR1TLR6
SCHEMBL8974396 0.80 MCL1 (0.36) MCL1ERN1TUBB1ALDH1A1TDP1

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