SCHEMBL22381007

SCHEMBL22381007

O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)C(=O)c1ccccc1-2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.89
RAB9A P51151 4/20 0.89
LMNA P02545 3/20 0.89
NPC1 O15118 3/20 0.89
SMN1; SMN2 Q16637 2/20 0.89
ALDH1A1 P00352 2/20 0.89
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HTT P42858 1/20 0.60
PTPRC P08575 5/20 0.59
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TTR P02766 1/20 0.53
CTSL P07711 1/20 0.52
PTPN13 Q12923 1/20 0.52

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
SCHEMBL5834485 0.82 RAB9A (0.70) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL27399935 0.81 MAPT (0.68) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL5080111 0.80 MAPT (0.67) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL312287 0.79 KMT2A (0.92) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL28351063 0.79 MAPT (0.64) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL13986176 0.78 MAPT (0.64) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL6002245 0.78 KMT2A (0.70) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL1115098 0.78 MAPT (0.63) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL30935799 0.78 MAPT (0.63) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL312910 0.77 TDP1 (0.81) MAPTRAB9ALMNANPC1SMN1; SMN2

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
US-20200348255-A1 SENSOR AND CONCENTRATION MEASUREMENT METHOD PHC HOLDINGS CORP (JP) 2020-11-05 US disclosed
US-10761044-B2 Sensor and concentration measurement method PHC HOLDINGS CORPORATION (JP) 2020-09-01 US disclosed