SCHEMBL7279348

SCHEMBL7279348

CC(C(=O)O)(C(=O)O)C1Cc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
HSP90AB1 P08238 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
AOC2 O75106 5/20 0.37
MAOA P21397 5/20 0.37

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
SCHEMBL10877666 0.81 HIF1A (0.52) SSTR4HPGDHIF1AKDM4EALDH1A1
SCHEMBL11952613 0.80 SSTR4 (0.41) SSTR4HPGDTSHRHIF1AGABRA1
SCHEMBL10366394 0.78 HIF1A (0.38) SSTR4HPGDTSHRHIF1AGABRA1
SCHEMBL8035974 0.77 AOC2 (0.40) SSTR4HPGDTSHRHIF1AGABRA1
SCHEMBL12911435 0.73 MAOA (0.41) SSTR4HPGDTSHRAOC2MAOA
SCHEMBL5847146 0.72 HPGD (0.64) HPGDTSHRHSP90AB1SMN1; SMN2NFKB1
SCHEMBL5109501 0.72 HPGD (0.64) HPGDTSHRHSP90AB1SMN1; SMN2NFKB1
SCHEMBL1519327 0.72 HPGD (0.64) HPGDTSHRHSP90AB1SMN1; SMN2NFKB1
SCHEMBL8036060 0.71 SSTR4 (0.43) SSTR4HIF1AAOC2MAOAMAOB
SCHEMBL2152425 0.71 SSTR4 (0.36) SSTR4HPGDTSHRHIF1AGABRA1

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
EP-0060668-A1 N-carboxyalkyl dipeptide derivatives and pharmaceutical compositions thereof BEECHAM GROUP PLC (GB) 1982-09-22 EP disclosed