SCHEMBL27765610

SCHEMBL27765610

C=CC(N1CCN(c2ccc(C(F)(F)F)cc2F)CC1)S(=O)(=O)c1ccc2c(c1)C(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A5 Q9Y345 2/20 0.36
CXCR3 P49682 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL27744659 0.88 SLC6A9 (0.41) SLC6A9KCNH2RORCCA2
SCHEMBL28780732 0.86 SLC6A9 (0.35) SLC6A9KCNH2CXCR3RORCCHRM2
SCHEMBL27765715 0.85 F13A1 (0.44) SLC6A9KCNH2SLC6A5LMNASMN1; SMN2
SCHEMBL27765691 0.85 NOTUM (0.36) SLC6A9SLC6A5RORC
SCHEMBL1470598 0.83 LMNA (0.49) CXCR3LMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL27744699 0.80 NOTUM (0.44) RORC
SCHEMBL27744593 0.80 FFAR4 (0.38) FFAR4RORCCHRM2
SCHEMBL27744766 0.80 EGLN1 (0.34) RORC
SCHEMBL27744707 0.76 NOTUM (0.36) SLC6A9KCNH2RORCCHRM2CHRM1
SCHEMBL27744663 0.76 CXCR3 (0.40) CXCR3RORCCA2

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
CN-101421258-B Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYPSYS INC 2013-08-21 CN disclosed
CN-101421258-A Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYSPSYS INC (US) 2009-04-29 CN disclosed