SCHEMBL15520543

SCHEMBL15520543

CC(C)c1ccc(S(=O)(=O)n2c(C(O)Cc3ccc(C(=O)O)cc3)cc3cc(Cl)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ TRPM8 Q7Z2W7 4/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ CNR1 P21554 6/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ ACLY P53396 1/20 0.35
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ CYSLTR1 Q9Y271 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
SCHEMBL15519840 0.89 CNR1 (0.39) RXRARXRBTRPM8CNR1CNR2
SCHEMBL2365154 0.86 RXRA (0.39) RXRARXRBTRPM8CNR1CNR2
SCHEMBL14054259 0.80 CA12 (0.41) CNR1CNR2
SCHEMBL15520544 0.80 MCL1 (0.35) CNR1CNR2ACLY
SCHEMBL15519674 0.78 TRPM8 (0.39) TRPM8
SCHEMBL15520182 0.78 PPARG (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14054088 0.76 NOD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2279719 0.74 TRPM8 (0.43) TRPM8
SCHEMBL14124725 0.74 NOD1 (0.40) —
SCHEMBL15519262 0.73 TRPM8 (0.43) TRPM8

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