SCHEMBL15519840

SCHEMBL15519840

CC(C)c1ccc(S(=O)(=O)n2c(C(O)c3ccc(C(=O)O)cc3)cc3cc(Cl)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ ACLY P53396 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ PTGER4 P35408 6/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGER2 P43116 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34

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
SCHEMBL14054259 0.91 CA12 (0.41) CNR1CNR2CA12CA1CA2
SCHEMBL15520544 0.89 MCL1 (0.35) CNR1CNR2ACLYNOD1LMNA
SCHEMBL15520543 0.89 RXRA (0.39) CNR1CNR2ACLYPTGER4TRPM8
SCHEMBL2365154 0.83 RXRA (0.39) CNR1CNR2ACLYPTGER4NOD1
SCHEMBL12096852 0.82 ACLY (0.53) CNR1ACLY
SCHEMBL15519817 0.78 TRPM8 (0.37) PTGER4TRPM8LMNARXRARXRB
SCHEMBL14054088 0.77 NOD1 (0.40) NOD1
SCHEMBL15520182 0.75 PPARG (0.35) NOD1
SCHEMBL14124725 0.75 NOD1 (0.40) NOD1
SCHEMBL14053826 0.74 MRGPRX4 (0.35) CNR1CNR2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP claimed
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP disclosed
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