SCHEMBL7962722

SCHEMBL7962722

CCC(Oc1cccc2c1Cc1sc(SCCC(c3ccccc3)c3ccccc3)nc1-2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
FABP4 P15090 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TACR3 P29371 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL7521850 0.84 PPARA (0.37) PPARAPPARGFABP4ALDH1A1POLB
SCHEMBL7521639 0.83 PTGIR (0.42) ADORA1PPARAPPARGSMN1; SMN2ALDH1A1
SCHEMBL7974210 0.81 ADORA1 (0.41) ADORA1PPARAPPARGFABP4SMN1; SMN2
SCHEMBL7528838 0.81 ADORA1 (0.39) ADORA1FABP4SMN1; SMN2ALDH1A1POLB
SCHEMBL7972424 0.79 PPARA (0.37) PPARAPPARGFABP4POLBHSD17B10
SCHEMBL7523413 0.78 ADORA1 (0.39) ADORA1PPARAPPARGALDH1A1POLB
SCHEMBL7976455 0.77 PPARA (0.36) ADORA1PPARAPPARGFABP4POLB
SCHEMBL7976492 0.76 ALOX5 (0.38) ADORA1PPARAPPARGSMN1; SMN2ALDH1A1
SCHEMBL7526545 0.75 ADORA1 (0.38) ADORA1FABP4SMN1; SMN2ALDH1A1POLB
SCHEMBL7519017 0.75 PTGIR (0.42) ALDH1A1POLBHPGDKDM4EMEN1

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