SCHEMBL16900736

SCHEMBL16900736

CCCc1cc(OC)c2c(c1)OC(c1ccc(O)c(O)c1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
XDH P47989 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.40
KDM1A O60341 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CA4 P22748 1/20 0.40
DPP4 P27487 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
(2S)-3',4'-Dihydroxy-5,7-Dimethoxyflavan SCHEMBL2968482 0.83 CYP19A1 (0.52) CYP19A1CYP3A4ALDH1A1TP53XDH
SCHEMBL2956557 0.76 CYP19A1 (0.56) CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL31053988 0.76 CYP19A1 (0.54) CYP19A1CYP3A4ALDH1A1TP53XDH
SCHEMBL2961584 0.76 CYP19A1 (0.54) CYP19A1CYP3A4ALDH1A1TP53XDH
SCHEMBL2968452 0.73 CYP19A1 (0.62) CYP19A1CYP3A4ALDH1A1TP53XDH
SCHEMBL2960299 0.72 CYP1A1 (0.61) CYP19A1CYP3A4ALDH1A1TP53XDH
SCHEMBL2970150 0.71 CYP19A1 (0.56) CYP19A1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL29066384 0.71 CYP19A1 (0.53) CYP19A1CYP3A4ALDH1A1MAPTHPGD
SCHEMBL2964356 0.71 CYP19A1 (0.53) CYP19A1CYP3A4ALDH1A1MAPTHPGD
SCHEMBL8243518 0.71 KDM4E (0.57) CYP19A1CYP3A4ALDH1A1TP53CYP1A1

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-2253226-B1 Use of hydroxyflavone derivatives for modifying taste LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2015-07-15 EP disclosed