SCHEMBL7972569

SCHEMBL7972569

CCC(Oc1ccc2c(c1)CC(Br)C2=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PPARA Q07869 10/20 0.42
PPARG P37231 9/20 0.42
METAP1 P53582 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP24A1 Q07973 2/20 0.35
CYP26A1 O43174 1/20 0.35
CYP27A1 Q02318 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7962734 0.88 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGTHRATHRB
SCHEMBL7962749 0.81 SMN1; SMN2 (0.48) SMN1; SMN2PPARAPPARGCYP19A1PTGDR2
SCHEMBL7962725 0.76 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARGMEN1KMT2A
SCHEMBL7522620 0.76 HSD17B10 (0.51) METAP1THRATHRBKDM4EMEN1
SCHEMBL4462617 0.75 METAP1 (0.58) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL7976476 0.75 PPARA (0.42) SMN1; SMN2PPARAPPARGCYP19A1PTGDR2
SCHEMBL7972777 0.74 SMN1; SMN2 (0.56) SMN1; SMN2PPARA
SCHEMBL9136817 0.71 METAP1 (0.42) METAP1THRATHRBCYP19A1CYP24A1
SCHEMBL8628473 0.71 AKR1C3 (0.34) METAP1KDM4EMEN1ALDH1A1GAA
SCHEMBL7972644 0.69 SMN1; SMN2 (0.56) SMN1; SMN2PPARAPPARGMEN1KMT2A

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