SCHEMBL27733800

SCHEMBL27733800

C=CC(c1ccc2c(c1)CCO2)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ P2RX3 P56373 5/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL27733849 0.89 PPARG (0.36) FABP4P2RX3PPARGPPARDPPARA
SCHEMBL27733824 0.88 TRPV1 (0.37) FABP4PTGS1PTGS2PPARGPPARA
SCHEMBL27733784 0.84 PSEN1 (0.42) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL27713457 0.84 PSEN1 (0.46) FABP4PTGS1PTGS2PSEN1PSEN2
SCHEMBL27733705 0.83 PSEN1 (0.34) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL27733655 0.82 NOTUM (0.47) MAPT
SCHEMBL28775103 0.82 MEN1 (0.41) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL27713686 0.81 PPARG (0.41) PPARGPPARDPPARAPSEN1PSEN2
SCHEMBL27713338 0.81 PSEN1 (0.40) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL28770821 0.80 PTGS2 (0.39) PTGS2PSEN1PSEN2APH1BNCSTN

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-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
Send feedback