SCHEMBL7974235

SCHEMBL7974235

CCC(Oc1c(Br)ccc2c1CCCC2=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 6/20 0.40
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PPARG P37231 5/20 0.34
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL7974197 0.78 MRGPRX4 (0.51) SMN1; SMN2PPARALTB4RLTB4R2MRGPRX4
SCHEMBL7522087 0.76 WDR5 (0.43) LTB4RLTB4R2MRGPRX4KDM4EALDH1A1
SCHEMBL23783073 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDBRD4
SCHEMBL7972777 0.73 SMN1; SMN2 (0.56) SMN1; SMN2PPARA
SCHEMBL8935912 0.72 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPTPN1
SCHEMBL8935919 0.72 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGPTPN1
SCHEMBL7972644 0.71 SMN1; SMN2 (0.56) SMN1; SMN2PPARAPPARGBRD4
SCHEMBL7972678 0.69 ALDH1A1 (0.45) SMN1; SMN2PPARALTB4RMRGPRX4PPARG
SCHEMBL4814937 0.69 SMN1; SMN2 (0.74) SMN1; SMN2PPARAPPARGTSHRPOLB
SCHEMBL7962725 0.68 SMN1; SMN2 (0.58) SMN1; SMN2PPARAPPARG

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