SCHEMBL8470343

SCHEMBL8470343

COc1cccc(SCCC(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
PTGS2 P35354 3/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
LMNA P02545 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
BRD4 O60885 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL22303520 0.87 MTNR1A (0.48) ALDH1A1PTGS2MTNR1AMTNR1BLMNA
SCHEMBL29515347 0.84 MTNR1A (0.61) HPGDALDH1A1THRBPTGS2MTNR1A
SCHEMBL7751 0.84 MTNR1A (0.61) HPGDALDH1A1THRBPTGS2MTNR1A
SCHEMBL23977091 0.77 KDM4E (0.41) ALDH1A1LMNACDC25ACDC25BCA12
SCHEMBL8473567 0.77 CDC25A (0.39) HPGDALDH1A1PTGS2CDC25ACDC25B
SCHEMBL11603765 0.76 PTGS2 (0.66) ALDH1A1PTGS2MTNR1AMTNR1BLMNA
SCHEMBL4413192 0.75 PTGS2 (0.72) ALDH1A1PTGS2MTNR1AMTNR1BLMNA
SCHEMBL24189160 0.75 HPGD (0.46) HPGDALDH1A1THRBPTGS2LMNA
SCHEMBL17743971 0.74 POLB (0.49) LMNACA12CA1CA2CA7
SCHEMBL4273970 0.73 PTGS2 (0.75) ALDH1A1PTGS2MTNR1AMTNR1BLMNA

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-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed