SCHEMBL28559014

SCHEMBL28559014

C=CCCOC1CCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.37
TEAD1 P28347 1/20 0.37
LSS P48449 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NAMPT P43490 1/20 0.32
FAAH O00519 3/20 0.31
DPP7 Q9UHL4 1/20 0.30
BTK Q06187 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL21767675 0.90 LSS (0.39) TEAD3TEAD1LSSTAAR1NAMPT
SCHEMBL21767671 0.90 LSS (0.39) TEAD3TEAD1LSSTAAR1NAMPT
SCHEMBL30094731 0.88 LSS (0.40) TEAD3TEAD1LSSTAAR1NAMPT
SCHEMBL5793762 0.84 EPHX2 (0.35) TEAD3TEAD1LSS
SCHEMBL16530276 0.84 EPHX2 (0.35) TEAD3TEAD1LSS
SCHEMBL21767761 0.80 PRMT5 (0.47)
SCHEMBL21777184 0.80 PRMT5 (0.47)
SCHEMBL21767763 0.80 PRMT5 (0.47)
SCHEMBL22835620 0.80 LIPG (0.42) TAAR1NAMPTDPP7LIPG
SCHEMBL22835940 0.80 LIPG (0.42) TAAR1NAMPTDPP7LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed