SCHEMBL7976476

SCHEMBL7976476

CCC(Oc1cccc2c1CC(Br)C2=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
PPARG P37231 6/20 0.42
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LTB4R Q15722 1/20 0.37
PPARD Q03181 1/20 0.35
CYP19A1 P11511 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FABP4 P15090 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TSHR P16473 1/20 0.33
ABCB1 P08183 2/20 0.32
TP53 P04637 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
SCHEMBL7962763 0.89 LMNA (0.42) PPARAPPARGACHESMN1; SMN2LTB4R
SCHEMBL7962739 0.83 ACHE (0.37) ACHECYP19A1LMNAKDM4EPOLB
SCHEMBL7976450 0.81 ACHE (0.36) PPARAPPARGACHEPPARDCYP19A1
SCHEMBL7976460 0.81 PPARA (0.39) PPARAPPARGSMN1; SMN2LTB4RPPARD
SCHEMBL7962737 0.81 ABCB1 (0.39) PPARAPPARGACHEPPARDCYP19A1
SCHEMBL7976448 0.79 KDM4E (0.36) PPARAPPARGACHESMN1; SMN2PPARD
SCHEMBL7972678 0.78 ALDH1A1 (0.45) PPARAPPARGSMN1; SMN2LTB4RPPARD
SCHEMBL7974327 0.78 PPARA (0.42) PPARAPPARGSMN1; SMN2LTB4RPPARD
SCHEMBL7974197 0.76 MRGPRX4 (0.51) PPARAPPARGSMN1; SMN2LTB4RPTGDR2
SCHEMBL7976453 0.76 SMN1; SMN2 (0.42) PPARAPPARGSMN1; SMN2LTB4RPPARD

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