SCHEMBL8974308

SCHEMBL8974308

Cc1cc(C=CC(=O)O)c2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NFKB1 P19838 1/20 0.50
CA4 P22748 1/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.49
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 1/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL8974304 1.00 PKM (0.50) PKMCA1CA2NFKB1CA4
SCHEMBL8974761 0.80 PKM (0.56) PKMCA1CA2NFKB1CA4
SCHEMBL12875993 0.78 CA1 (0.50) CA1CA2NFKB1CA4HTT
SCHEMBL8974313 0.78 HTT (0.57) PKMHTTLMNAPTGS1PTGS2
SCHEMBL8726893 0.77 NFKB1 (0.61) CA1CA2NFKB1CA4HTT
SCHEMBL6852509 0.77 NFKB1 (0.61) CA1CA2NFKB1CA4HTT
SCHEMBL22991749 0.76 CA1 (0.43) PKMCA1CA2NFKB1CA4
SCHEMBL30555699 0.76 CA1 (0.43) PKMCA1CA2NFKB1CA4
SCHEMBL8974134 0.75 PTGER4 (0.41) CA1CA2NFKB1CA4PTGER1
SCHEMBL8974131 0.75 PTGER4 (0.41) CA1CA2NFKB1CA4PTGER1

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