SCHEMBL11991019

SCHEMBL11991019

CC(F)(F)P(=O)(c1cc2ccc3cccc4ccc(c1)c2c34)c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
PTPN1 P18031 3/20 0.35
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRC P08575 1/20 0.33

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
SCHEMBL11991022 0.94 MEN1 (0.39) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991003 0.85 CYP1A1 (0.42) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991029 0.82 MEN1 (0.34) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991772 0.82 CYP1A1 (0.39) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991034 0.81 PTPN1 (0.49) CYP1A2MEN1KMT2APTPN1TDP1
SCHEMBL11991769 0.79 MEN1 (0.37) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991028 0.79 MEN1 (0.32) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991773 0.78 MEN1 (0.36) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991027 0.78 MEN1 (0.36) ALDH1A1TSHRHPGDCYP1A1CYP1B1
SCHEMBL11991032 0.78 MEN1 (0.34) ALDH1A1TSHRHPGDCYP1A2MEN1

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-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed