SCHEMBL19353226

SCHEMBL19353226

C=CC(=O)NC1CCC(C)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.39
▸ TEAD1 P28347 6/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BTK Q06187 2/20 0.33
▸ JAK3 P52333 4/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP8 P22894 1/20 0.32

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
SCHEMBL20892953 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL19353525 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL20892801 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL20892805 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL19353270 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL24244484 1.00 EPHX1 (0.40) EPHX1SMYD3TEAD1POLBTSHR
SCHEMBL19353379 0.89 EPHX1 (0.38) EPHX1SMYD3TEAD1TSHRALDH1A1
SCHEMBL19353233 0.89 EPHX1 (0.38) EPHX1SMYD3TEAD1TSHRALDH1A1
SCHEMBL16907748 0.89 EPHX1 (0.38) EPHX1SMYD3TEAD1TSHRALDH1A1
SCHEMBL19353373 0.89 EPHX1 (0.38) EPHX1SMYD3TEAD1TSHRALDH1A1

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
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 — — WO disclosed
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