SCHEMBL6695587

SCHEMBL6695587

CCCn1c2c(c3cccc(C(=O)OC)c31)/C(=N/O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 9/20 0.50
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
UBE2N P61088 1/20 0.41
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MAPK10 P53779 1/20 0.36
PTK2B Q14289 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
NPC1 O15118 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
SCHEMBL6695590 1.00 FABP4 (0.50) FABP4TSHRMAPK1UBE2NMEN1
SCHEMBL6683705 0.86 FABP4 (0.53) FABP4MEN1KMT2AKDM4EUSP2
SCHEMBL6687511 0.86 FABP4 (0.54) FABP4KMT2AKDM4ESMN1; SMN2FABP3
SCHEMBL6687514 0.86 FABP4 (0.54) FABP4KMT2AKDM4ESMN1; SMN2FABP3
SCHEMBL6690088 0.80 FABP4 (0.76) FABP4KDM4EALDH1A1FABP3
SCHEMBL6681846 0.79 FABP4 (0.77) FABP4FABP3
SCHEMBL6692803 0.74 FABP4 (0.66) FABP4KDM4ENPC1FABP3
SCHEMBL6688213 0.73 FABP4 (0.69) FABP4FABP3
SCHEMBL6686686 0.73 FABP4 (0.65) FABP4MEN1KMT2AKDM4EALDH1A1
SCHEMBL6691385 0.73 FABP4 (0.69) FABP4FABP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO claimed
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed