SCHEMBL8974290

SCHEMBL8974290

CCCc1cccc2ccc(C=O)c(OCOC)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTPN1 P18031 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
ERN1 O75460 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
MTNR1A P48039 1/20 0.30

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
SCHEMBL8974801 0.91 GAA (0.36) ELANEGAAALDH1A1NPC1RAB9A
SCHEMBL8974716 0.87 CA1 (0.43) ELANEGAAALDH1A1NPC1RAB9A
SCHEMBL9025783 0.84 HTR1A (0.38) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL11926109 0.82 CA1 (0.36) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL8974775 0.80 SMN1; SMN2 (0.36) ELANEGAAALDH1A1
SCHEMBL22914882 0.77 ADRB2 (0.37) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL27806563 0.76 CA1 (0.45) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL19383789 0.76 CA1 (0.40) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL8974137 0.76 MCL1 (0.36) ALDH1A1TDP1L3MBTL1ERN1
SCHEMBL8974556 0.75 ELANE (0.39) ELANEGAAPTPN1CTSLCTSS

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