SCHEMBL3881989

SCHEMBL3881989

Cc1ccccc1C(=Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HPGD P15428 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1I2 O75469 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
DHODH Q02127 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
MYC P01106 1/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3884832 0.82 HPGD (0.43) KDM4EHPGDPOLBALDH1A1SMN1; SMN2
SCHEMBL778665 0.79 KDM4E (0.48) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1579379 0.76 AKR1C1 (0.48) KDM4EHPGDMEN1KMT2ANR1I2
SCHEMBL9001674 0.76 AKR1C1 (0.48) KDM4EHPGDMEN1KMT2ANR1I2
Toluic Acid SCHEMBL30331573 0.74 ALDH1A1 (0.55) KDM4EHPGDMEN1KMT2APOLB
SCHEMBL675699 0.71 KDM4E (0.50) KDM4EHPGDMEN1KMT2APOLB
SCHEMBL2258548 0.71 HPGD (0.52) KDM4EHPGDKMT2APOLBALDH1A1
SCHEMBL34474936 0.70 MEN1 (0.42) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL4865622 0.70 AKR1C3 (0.58) KDM4EHPGDMEN1KMT2APOLB
SCHEMBL6473037 0.69 KMT2A (0.49) KDM4EHPGDMEN1KMT2AALDH1A1

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-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed