SCHEMBL28070537

SCHEMBL28070537

O=C(C(C1CC1)C(O)c1ccccc1F)C(C1CC1)C(O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC4 P56524 1/20 0.36
GAA P10253 1/20 0.36
TACR3 P29371 2/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OPRL1 P41146 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL27776890 0.82 CES2 (0.39) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL27817482 0.82 CES2 (0.39) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL1155728 0.77 CES2 (0.43) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL28207484 0.75 CES2 (0.39) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL11602791 0.75 CES2 (0.54) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL5485147 0.74 PDE2A (0.54) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL29591877 0.74 PDE2A (0.54) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL27881361 0.73 MEN1 (0.38) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL2775190 0.71 CES2 (0.41) CES2CES1MEN1KMT2ACYP3A4
SCHEMBL9437111 0.71 KMT2A (0.47) CES2CES1MEN1KMT2ACYP3A4

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-105669699-A Preparation method of prasugrel hydrochloride 山东罗欣药业集团股份有限公司 2016-06-15 CN claimed
CN-105669699-B A kind of preparation method of prasugrel hydrochloride 山东罗欣药业集团股份有限公司 2018-03-06 CN disclosed
CN-105669699-A Preparation method of prasugrel hydrochloride 山东罗欣药业集团股份有限公司 2016-06-15 CN disclosed