SCHEMBL6652918

SCHEMBL6652918

CC(O)C(O)c1ccc(C(=O)O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 14/20 0.49
P4HA1 P13674 1/20 0.48
MIF P14174 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL27837540 0.85 P4HTM (0.52) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL6650658 0.84 KMT2A (0.45) P4HTMKMT2ALMNAMAPTTSHR
SCHEMBL6920475 0.83 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL30181544 0.83 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL6651599 0.81 PIK3CD (0.41) P4HTMMAPT
SCHEMBL29571426 0.81 MAPK1 (0.56) KDM4EALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6650491 0.81 MAPK1 (0.56) KDM4EALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6649788 0.81 MAPT (0.41) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL14358092 0.80 KDM4E (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL25523204 0.80 P4HTM (0.50) P4HTMP4HA1MIFKDM4EALDH1A1

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
EP-0926137-B1 Picolin acid derivatives useful in the treatment of IL-1 and TNF mediated diseases PFIZER (US) 2004-05-12 EP disclosed
US-6416979-B1 MARASMIELLUS CULTURE PRODUCT; ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENTS PFIZER INC. 2002-07-09 US disclosed
US-6194442-B1 ANTIINFLAMMATORY AGENT PFIZER INC 2001-02-27 US disclosed
US-6034107-A RHEUMATIC DISORDERS, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 2000-03-07 US disclosed
EP-0926137-A1 Picolin acid derivatives useful in the treatment of IL-1 and TNF mediated diseases PFIZER INC. (US) 1999-06-30 EP disclosed