SCHEMBL8619012

SCHEMBL8619012

CC(C)(C)c1cc(C=C2SC(=O)NC2=O)cc(C(C)(C)C)c1O.CCCCSc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.60
▸ PTGS1 P23219 2/20 0.60
▸ HPGD P15428 3/20 0.43
▸ CTRC Q99895 1/20 0.43
▸ NAT1 P18440 1/20 0.42
▸ IGF1R P08069 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL8620079 0.91 PTGS2 (0.61) PTGS2PTGS1CTRCNAT1PIM1
SCHEMBL8619011 0.90 PTGS2 (0.44) PTGS2PTGS1CTRCIGF1R
SCHEMBL8614425 0.83 PIM1 (0.53) HPGDNAT1IGF1RPPARGPIM1
SCHEMBL8640744 0.83 HPGD (0.47) HPGDIGF1RPPARGPIM1PIM3
SCHEMBL8616364 0.82 PIM1 (0.57) PTGS2HPGDPPARGPIM1PIM2
SCHEMBL8618308 0.81 MTOR (0.47) HPGDIGF1RPPARGPIM1PIM3
SCHEMBL8617896 0.81 GSK3B (0.61) HPGDPPARGPIM1PIM3PIM2
SCHEMBL8617338 0.80 GSK3B (0.57) HPGDPPARGPIM1PIM2
SCHEMBL3667218 0.77 PTGS2 (1.00) PTGS2PTGS1HPGDNAT1IGF1R
SCHEMBL8962138 0.77 PTGS2 (1.00) PTGS2PTGS1HPGDNAT1IGF1R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 — — US disclosed
Send feedback