SCHEMBL27867768

SCHEMBL27867768

O=C(O)c1ccc(Cc2cc3cc(Cl)ccc3n2S(=O)(=O)CC=Cc2ccc(Oc3ccccc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.39
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ PPARG P37231 5/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ ACLY P53396 1/20 0.35
▸ DHCR7 Q9UBM7 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ PLA2G4A P47712 3/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 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
SCHEMBL27884243 0.89 ALDH1A1 (0.40) PPARGPPARDPPARA
SCHEMBL27884355 0.85 PPARG (0.44) PPARGPPARDPPARAACLYDHCR7
SCHEMBL12096769 0.84 PPARG (0.47) P2RX3ADRB1ADRB3PPARGPPARD
SCHEMBL27884364 0.82 DHCR7 (0.42) PPARGPPARDPPARAACLYDHCR7
SCHEMBL27867769 0.81 ADRB1 (0.39) P2RX3ADRB1ADRB3PPARGDGAT1
SCHEMBL28797215 0.81 DHCR7 (0.41) PPARGPPARDPPARAACLYDHCR7
SCHEMBL27867728 0.80 ACLY (0.39) PPARGPPARDPPARAACLYDHCR7
SCHEMBL27867758 0.79 ACLY (0.38) PPARGPPARDPPARAACLYDHCR7
SCHEMBL27884471 0.78 ACLY (0.37) PPARGPPARDPPARAACLYDHCR7
SCHEMBL27733754 0.75 PPARG (0.57) PPARGPPARDPPARA

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
CN-102596906-A Use of indole derivatives as NURR-1 activators as agents for the treatment of Parkinson's disease FOURNIER LAB SA 2012-07-18 — — CN disclosed
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