SCHEMBL21777217

SCHEMBL21777217

C=C[C@H](O)CCCCO[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.35
DPP7 Q9UHL4 1/20 0.32
NAMPT P43490 1/20 0.31
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL21767708 1.00 LSS (0.35) LSSDPP7NAMPTTEAD1TEAD3
SCHEMBL21780525 0.83 PRMT5 (0.45)
SCHEMBL21767675 0.82 LSS (0.39) LSSNAMPTTEAD1TEAD3TAAR1
SCHEMBL21767671 0.82 LSS (0.39) LSSNAMPTTEAD1TEAD3TAAR1
SCHEMBL31063190 0.82 PRMT5 (0.44) LSS
SCHEMBL30094731 0.81 LSS (0.40) LSSNAMPTTEAD1TEAD3TAAR1
SCHEMBL21780594 0.80
SCHEMBL21787309 0.80
SCHEMBL21767475 0.78 NAMPT (0.33) LSSNAMPTTAAR1
SCHEMBL21767473 0.78 NAMPT (0.33) LSSNAMPTTAAR1

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
EP-3843728-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
EP-3843727-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed