SCHEMBL7976474

SCHEMBL7976474

CCC(Oc1cccc2c1CCc1sc(S(=O)(=O)C(c3ccccc3)c3ccccc3)nc1-2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP4 P15090 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
DHODH Q02127 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TACR3 P29371 1/20 0.31
XIAP P98170 1/20 0.31
TP53 P04637 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL7962804 0.92 KMT2A (0.34) PPARAPPARGNPC1RAB9AMAPT
SCHEMBL7520084 0.83 PTGIR (0.42) NPC1RAB9ADHODHKDM4EPOLB
SCHEMBL7974272 0.82 PPARA (0.39) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7976456 0.82 PPARA (0.39) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7521850 0.82 PPARA (0.37) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7972424 0.82 PPARA (0.37) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7521207 0.81 PTGIR (0.39) NPC1RAB9ALMNANPSR1
SCHEMBL7972708 0.80 PPARA (0.39) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7976455 0.80 PPARA (0.36) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7527902 0.80 PTGIR (0.39) DHODHPPARD

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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed