SCHEMBL8974252

SCHEMBL8974252

C=C(C)c1cccc2cccc(OC(C)=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
BLM P54132 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL8219437 0.84 KDM4E (0.56) KDM4EALDH1A1HSD17B10TDP1BLM
SCHEMBL1756182 0.80 PTGS2 (0.69) KDM4EALDH1A1HSD17B10TDP1BLM
SCHEMBL1041519 0.78 HSD17B10 (0.41) KDM4EALDH1A1HSD17B10TDP1TSHR
SCHEMBL30226846 0.78 HSD17B10 (0.41) KDM4EALDH1A1HSD17B10TDP1TSHR
SCHEMBL11963919 0.78 HSD17B10 (0.50) KDM4EALDH1A1HSD17B10TDP1BLM
SCHEMBL8974728 0.77 PTPN1 (0.51) KDM4EALDH1A1HSD17B10TDP1BLM
SCHEMBL13837650 0.77 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10TDP1TSHR
SCHEMBL10070164 0.75 KDM4E (0.41) KDM4EALDH1A1HSD17B10TDP1HPGD
SCHEMBL27498190 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10TDP1BLM
SCHEMBL17813702 0.74 HSD17B10 (0.40) KDM4EALDH1A1HSD17B10TDP1TSHR

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