SCHEMBL13955211

SCHEMBL13955211

Cc1cc(-c2cc(=O)c3c(O)cc(O)c(C)c3o2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ BCL2 P10415 1/20 0.57
▸ PTPN1 P18031 1/20 0.55
▸ CBS P35520 1/20 0.55
▸ CDK5 Q00535 1/20 0.55
▸ CDK5R1 Q15078 1/20 0.55
▸ AKT1 P31749 1/20 0.52
▸ PARP1 P09874 2/20 0.52
▸ PARP2 Q9UGN5 2/20 0.52
▸ CSNK2A2 P19784 2/20 0.50
▸ CSNK2B P67870 2/20 0.50
▸ CSNK2A1 P68400 2/20 0.50
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GABRA1 P14867 1/20 0.49

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
SCHEMBL14066713 0.86 CBS (0.74) TP53CYP3A4MAPTPTPN1CBS
SCHEMBL13300950 0.78 CYP1B1 (0.77) TP53CYP3A4MAPTPTPN1CDK5
SCHEMBL18456430 0.76 PARP1 (0.50) CYP3A4MAPTPARP1PARP2CSNK2A2
SCHEMBL14145325 0.76 CYP3A4 (0.76) TP53CYP3A4MAPTCDK5CDK5R1
SCHEMBL14144968 0.76 POLH (0.58) TP53CYP3A4MAPTCDK5CDK5R1
Hypolaetin SCHEMBL29435843 0.75 BCL2 (0.69) TP53CYP3A4MAPTBCL2PTPN1
Hypolaetin SCHEMBL29929136 0.75 BCL2 (0.69) TP53CYP3A4MAPTBCL2PTPN1
Hypolaetin SCHEMBL29929121 0.75 BCL2 (0.69) TP53CYP3A4MAPTBCL2PTPN1
Hypolaetin SCHEMBL7743466 0.75 BCL2 (0.69) TP53CYP3A4MAPTBCL2PTPN1
SCHEMBL28009934 0.75 TERT (0.58) TP53CYP3A4MAPTBCL2CDK5

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
WO-2009024707-A2 USE OF RADAMEA MONTANA EXTRACT FOR PREPARING A COSMETIC COMPOSITION UNIVERSITE CLAUDE BERNARD LYON I (FR) 2009-02-26 — — WO disclosed
Send feedback