SCHEMBL29455127

SCHEMBL29455127

O=c1oc2ccccc2c(O)c1C1CC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.86
NQO1 P15559 5/20 0.44
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C9 P11712 3/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
PCSK7 Q16549 1/20 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
SCHEMBL29904783 1.00 VKORC1 (0.86) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL122474 1.00 VKORC1 (0.86) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL24003588 1.00 VKORC1 (0.86) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL10687567 0.94 VKORC1 (0.78) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL10690242 0.94 VKORC1 (0.78) VKORC1NQO1PRNPRXFP1TP53
Brodifacoum SCHEMBL435133 0.93 VKORC1 (1.00) VKORC1NQO1PRNPRXFP1TP53
Brodifacoum SCHEMBL29455095 0.93 VKORC1 (1.00) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL27866042 0.93 VKORC1 (0.81) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL10644371 0.92 VKORC1 (0.73) VKORC1NQO1PRNPRXFP1TP53
SCHEMBL10688883 0.90 VKORC1 (0.71) VKORC1NQO1PRNPRXFP1KDM4E

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
EP-3981442-A1 MOBILE DEVICE OPERABLE BY MEANS OF A TEMPERATURE DIFFERENCE FOR CLEANING AND DISINFECTING ROOM AIR Münch, Elke (DE) 2022-04-13 EP disclosed
EP-3978038-A1 MOBILE DEVICE OPERABLE BY MEANS OF A TEMPERATURE DIFFERENCE FOR CLEANING AND DISINFECTING ROOM AIR AND TEST DEVICE FOR SAME Münch, Elke (DE) 2022-04-06 EP disclosed