SCHEMBL5042330

SCHEMBL5042330

CCCCc1cccc(Oc2ccccc2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
PPARG P37231 3/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
LPAR1 Q92633 3/20 0.49
LPAR3 Q9UBY5 1/20 0.49
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48

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
SCHEMBL9719824 0.87 KDM4E (0.51) LMNAMAPTKDM4EMEN1RECQL
SCHEMBL10422169 0.87 PPARA (0.55) PPARAPPARGLMNAMAPTKDM4E
Phthalic Acid SCHEMBL28084769 0.87 PPARA (0.55) PPARAPPARGPSEN1PSEN2APH1B
Phthalic Acid SCHEMBL28084696 0.86 PPARA (0.64) PPARAPPARGCETP
SCHEMBL28360099 0.86 PPARA (0.57) PPARAPPARGPSEN1PSEN2APH1B
SCHEMBL4160316 0.85 PPARA (0.63) PPARAPPARGLMNAMAPTLPAR1
SCHEMBL4160313 0.85 AGTR1 (0.59) PPARAPPARGLMNAMAPTKDM4E
SCHEMBL3507714 0.83 SIRT2 (0.56) KDM4EKMT2ALPAR1LPAR3PLG
Phthalic Acid SCHEMBL28084690 0.82 PPARA (0.58) PPARAPPARGCETP
SCHEMBL9769842 0.82 PPARA (0.55) PPARAPPARGLMNAMAPTCETP

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-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 EP claimed