SCHEMBL3887564

SCHEMBL3887564

Cc1ccc(-c2c(C)ccc(P(=O)(O)O)c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.40
PTK2B Q14289 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.36
ACP3 P15309 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3895681 0.93 LMNA (0.41) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL3896493 0.83 MYC (0.39) SMN1; SMN2POLBNPC1HPGDRAB9A
SCHEMBL3881976 0.81 LMNA (0.39) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL3885852 0.81 PTK2B (0.43) PTPN5PTK2BRXFP1SMN1; SMN2CYP1A2
SCHEMBL3895587 0.79 PTK2B (0.42) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL776599 0.78 HDAC7 (0.40) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL3885257 0.75 S1PR3 (0.39) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL7930494 0.74 KDM4E (0.42) PTPN5PTK2BPOLBCYP1A2CYP2D6
SCHEMBL3883335 0.74 LMNA (0.42) PTPN5PTK2BRXFP1SMN1; SMN2POLB
SCHEMBL9742588 0.73 PTK2B (0.42) PTPN5PTK2BRXFP1SMN1; SMN2POLB

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