SCHEMBL28058002

SCHEMBL28058002

OCCn1c2ccc(O)cc2c2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
WEE1 P30291 12/20 0.56
LMNA P02545 1/20 0.54
CHEK1 O14757 7/20 0.50
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3879194 0.83 GAA (0.47) GAAWEE1LMNACHEK1MAPT
SCHEMBL3875130 0.80 POLB (0.52) GAAWEE1LMNACHEK1MAPT
SCHEMBL15486733 0.78 P2RX3 (0.53) LMNAMAPTPOLBATMCDK1
SCHEMBL11751145 0.77 KDM4E (0.53) GAAWEE1LMNACHEK1MAPT
SCHEMBL3667554 0.75 PGR (0.49) GAAWEE1LMNAMAPTPOLB
SCHEMBL3874418 0.74 KDM4E (0.42) GAAWEE1LMNACHEK1MAPT
SCHEMBL5828298 0.74 WEE1 (1.00) WEE1CHEK1
SCHEMBL3878145 0.74 SRC (0.50) GAALMNAMAPTPOLBATM
SCHEMBL19268938 0.73 BCHE (0.43) GAAWEE1LMNAMAPTPOLB
SCHEMBL11808516 0.73 BCHE (0.67) WEE1CHEK1MAPTESR1ESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105385086-A Antibacterial, scratch-resistant and weather-resistant TPE bag fabric coating material ANHUI XIONGYA PLASTIC TECH CO LTD 2016-03-09 CN claimed
CN-105623270-A Rubber composition and lubricating wear-resistant silicone rubber windshield wiper prepared from rubber composition BEIJING KAIRUIJIECHENG NEW MAT TECH CO LTD 2016-06-01 CN disclosed
CN-105385086-A Antibacterial, scratch-resistant and weather-resistant TPE bag fabric coating material ANHUI XIONGYA PLASTIC TECH CO LTD 2016-03-09 CN disclosed