SCHEMBL28130554

SCHEMBL28130554

CC(C)(Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.45
ALOX12 P18054 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
AR P10275 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8795980 0.84 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19707372 0.82 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1646972 0.81 NAPRT (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL25041715 0.80 NR1H4 (0.51) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3374091 0.80 POLB (0.58) MAPTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL8791650 0.79 NAPRT (0.45) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL19980321 0.77 HDAC8 (0.52) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL28822065 0.77 POLB (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL19707399 0.76 MAPT (0.45) MAPTRAB9AMEN1KMT2AHTT
SCHEMBL2407352 0.75 EPHX2 (0.44) MAPTARABCC9ABCC8KCNJ11

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-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-107954936-A A kind of method for preparing deuterated Imidazole diketone compound 成都海创药业有限公司 2018-04-24 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed