SCHEMBL20889265

SCHEMBL20889265

Cc1cccc(F)c1CC(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
GRIA1 P42261 4/20 0.42
GRIA3 P42263 4/20 0.42
GRIA2 P42262 4/20 0.42
GRIA4 P48058 3/20 0.42
MAPT P10636 2/20 0.42
GRIK1 P39086 2/20 0.42
GRIK5 Q16478 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL188588 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19667341 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20514005 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL38535 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2703289 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL188587 0.88 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL10477486 0.86 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL10477485 0.86 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL38804 0.82 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL38803 0.82 SLC7A5 (0.49) SLC7A5ALPIPKMPTGS1XIAP

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
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed