SCHEMBL3292009

SCHEMBL3292009

N#Cc1ccc(COC(=O)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
HTT P42858 1/20 0.45
SMPD1 P17405 1/20 0.44
MAOB P27338 1/20 0.44
CYP2A6 P11509 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CTBP2 P56545 1/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP11B1 P15538 1/20 0.43

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
SCHEMBL17253264 0.91 ALDH1A1 (0.49) ALDH1A1TDP1GAATSHRRAB9A
SCHEMBL8021350 0.84 ALDH1A1 (0.78) ALDH1A1TDP1TSHR
SCHEMBL11844391 0.83 GAA (0.51) TDP1GAATSHRRAB9ASAE1
SCHEMBL17283451 0.81 ALDH1A1 (0.58) ALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL11844386 0.81 GAA (0.50) TDP1GAATSHRRAB9ASAE1
SCHEMBL114536 0.81 GAA (0.54) TDP1GAATSHRRAB9ASAE1
SCHEMBL2659564 0.81 ALDH1A1 (0.58) ALDH1A1TDP1GAATSHRRAB9A
SCHEMBL16150588 0.80 ALDH1A1 (0.56) ALDH1A1MAOB
SCHEMBL28850281 0.79 GAA (0.48) ALDH1A1TDP1GAATSHRRAB9A
SCHEMBL6669234 0.79 GAA (0.48) ALDH1A1TDP1GAATSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN claimed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 CN disclosed
US-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed
US-4000297-A GASTROENTERIC ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1976-12-28 US disclosed