SCHEMBL7707720

SCHEMBL7707720

O=C1CCc2c(c3ccc(C(=O)O)cc3n2Cc2cc3c(cc2Cl)OCO3)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.48
SLC22A12 Q96S37 2/20 0.41
HPGD P15428 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
EDNRB P24530 4/20 0.37
EDNRA P25101 4/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
CASP6 P55212 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL7473906 0.82 ALDH1A1 (0.43) FABP4SLC22A12HPGDALDH1A1MAPK1
SCHEMBL7426960 0.81 ALDH1A1 (0.51) FABP4SLC22A12HPGDALDH1A1MAPK1
SCHEMBL7476678 0.74 SLC22A12 (0.39) FABP4SLC22A12HPGDALDH1A1EDNRB
SCHEMBL7707715 0.72 SLC22A12 (0.42) SLC22A12ALDH1A1MAPK1EDNRBEDNRA
SCHEMBL7424082 0.72 SLC22A12 (0.42) FABP4SLC22A12HPGDALDH1A1MAPK1
SCHEMBL7421878 0.72 KDM4E (0.41) FABP4SLC22A12HPGDALDH1A1MAPK1
SCHEMBL7474496 0.72 MEN1 (0.43) SLC22A12HPGDALDH1A1MAPK1EDNRA
SCHEMBL7420612 0.70 ALDH1A1 (0.44) SLC22A12HPGDALDH1A1MAPK1EDNRA
SCHEMBL7418839 0.69 FABP4 (0.54) FABP4SLC22A12ALDH1A1SMN1; SMN2PTPN11
SCHEMBL7422706 0.69 SLC22A12 (0.41) FABP4SLC22A12ALDH1A1MAPK1EDNRB

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-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed