SCHEMBL7320141

SCHEMBL7320141

CC(C)(C)OC(=O)CN(CC=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 1/20 0.40
SYK P43405 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CASR P41180 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL31153832 0.90 L3MBTL1 (0.43) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL782973 0.90 ALDH1A1 (0.47) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL3508186 0.89 L3MBTL1 (0.44) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL1554957 0.88 CCR6 (0.44) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL12722685 0.86 CTSL (0.44) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL782974 0.86 ALDH1A1 (0.44) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL19189188 0.86 CCR6 (0.49) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL26749289 0.85 ALDH1A1 (0.50) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL3212998 0.85 CCR6 (0.45) CCR6PAX8ALDH1A1L3MBTL1MAPK1
SCHEMBL8543386 0.84 CCR6 (0.47) CCR6PAX8ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372585-A Degradants and degreddeterminants for target protein degradation C4医药公司 2020-07-03 CN disclosed
US-5470849-A Anticoagulants SMITHKLINE BEECHAM CORP. (US) 1995-11-28 US disclosed
EP-0557406-A4 -G(G)-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS 1993-10-06 EP disclosed
EP-0557406-A1 GAMMA-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-01 EP disclosed
WO-1992007568-A1 η-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-05-14 WO disclosed