SCHEMBL9008162

SCHEMBL9008162

CCCCC(CBr)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
LDHA P00338 1/20 0.48
CA2 P00918 1/20 0.46
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
STAT3 P40763 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL26831762 0.88 SIGMAR1 (0.50) SIGMAR1LDHACA2ALOX15ALOX12
SCHEMBL9008224 0.85 LDHA (0.51) SIGMAR1LDHACA2ALOX15ALOX12
SCHEMBL6774909 0.85 STAT3 (0.56) LDHACA2ALOX15ALOX12STAT3
SCHEMBL6774924 0.81 EBP (0.50) SIGMAR1STAT3
SCHEMBL28924860 0.79 SIGMAR1 (0.50) SIGMAR1LDHACA2ALOX15ALOX12
SCHEMBL9008197 0.79 LDHA (0.45) SIGMAR1LDHACA2ALOX15ALOX12
SCHEMBL12961274 0.77 SIGMAR1 (0.43) SIGMAR1LDHA
SCHEMBL14747858 0.77 TAS1R3 (0.43) SIGMAR1ALOX15ALOX12
SCHEMBL4245548 0.76 LDHA (0.57) LDHACA2ALOX15ALOX12STAT3
SCHEMBL490714 0.74 LDHA (0.56) LDHACA2ALOX15EPHX2ATM

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-5491152-A Derivatives of cyclic ethers and sulfides for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed