SCHEMBL21972841

SCHEMBL21972841

C=Cc1ccc2ccc3c(O)ccc4ccc1c2c43

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.37
ESR1 P03372 7/20 0.37
APP P05067 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SNCA P37840 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GUSB P08236 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ESRRB O95718 1/20 0.33
ESRRA P11474 1/20 0.33
IDO1 P14902 1/20 0.31
CRHBP P24387 1/20 0.30

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
SCHEMBL25835859 0.81 ESR2 (0.35) ESR2ESR1
SCHEMBL18605752 0.80 KDM4E (0.43) ESR2ESR1APPMAPTTHRB
SCHEMBL29968016 0.80 KDM4E (0.43) ESR2ESR1APPMAPTTHRB
SCHEMBL22170101 0.80 HSD17B10 (0.50) APPMAPTTHRBHPGDALOX15
SCHEMBL16144679 0.80 HSD17B10 (0.50) APPMAPTTHRBHPGDALOX15
SCHEMBL30849786 0.80 HSD17B10 (0.50) APPMAPTTHRBHPGDALOX15
SCHEMBL29438471 0.79 ALDH1A1 (0.48) MAPTTHRBHPGDTSHRHSD17B10
SCHEMBL64873 0.79 ALDH1A1 (0.48) MAPTTHRBHPGDTSHRHSD17B10
SCHEMBL17334042 0.74 ERBB2 (0.37) ESR2ESR1HPGDTSHRHSD17B10
Phosphonic Acid SCHEMBL27730902 0.74 GUSB (0.44) MAPTTHRBHPGDTSHRHSD17B10

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-3653574-B1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORP (JP) 2021-01-06 EP disclosed
US-20200140275-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2020-05-07 US disclosed