SCHEMBL8215159

SCHEMBL8215159

CC(C)(C)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CA2 P00918 5/20 0.41
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
KDM6B O15054 1/20 0.41
CA1 P00915 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LCK P06239 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16706125 0.87 KDM6B (0.55) FOLH1HSP90AA1HSP90AB1CA2MME
SCHEMBL22956979 0.87 KDM6B (0.55) FOLH1HSP90AA1HSP90AB1CA2MME
SCHEMBL31248186 0.87 KDM6B (0.55) FOLH1HSP90AA1HSP90AB1CA2MME
SCHEMBL7900190 0.81 FOLH1 (0.41) FOLH1CA2MMEACEACE2
SCHEMBL10657017 0.81 ACE (0.57) ACEITGB1ITGA4
SCHEMBL10657027 0.81 ACE (0.57) ACEITGB1ITGA4
SCHEMBL4963554 0.81 PPARG (0.46) HSP90AA1HSP90AB1CA2KDM6BALOX15
SCHEMBL30891619 0.80 KDM6B (0.45) HSP90AA1HSP90AB1MMEKDM6BALOX15
SCHEMBL9845237 0.80 KDM6B (0.45) HSP90AA1HSP90AB1KDM6BALOX15HSD17B10
SCHEMBL953389 0.79 FOLH1 (0.56) FOLH1CA2MMEACECA1

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-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed