SCHEMBL8973873

SCHEMBL8973873

COCOc1c(C)cc(C=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
ERN1 O75460 1/20 0.39
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 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
SCHEMBL8974651 0.84 MCL1 (0.54) MCL1ERN1ALDH1A1TSHRHTT
SCHEMBL8974131 0.81 PTGER4 (0.41) PTPN1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8974134 0.81 PTGER4 (0.41) PTPN1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL18760476 0.78 PTPN1 (0.36) ERN1PTPN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8973931 0.75 PTPN1 (0.42) MCL1ERN1PTPN1ALDH1A1TSHR
SCHEMBL30071915 0.75 ERN1 (0.51) MCL1ERN1ALDH1A1HTTSMN1; SMN2
SCHEMBL2043979 0.74 PTPN1 (0.53) ERN1PTPN1ALDH1A1TSHRHTT
SCHEMBL20607498 0.74 PTPN1 (0.33) PTPN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL9748117 0.74 ERN1 (0.47) MCL1ERN1PTPN1ALDH1A1HTT
SCHEMBL20563726 0.74 ERN1 (0.50) MCL1ERN1ALDH1A1HTTSMN1; SMN2

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 4 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
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