SCHEMBL21376638

SCHEMBL21376638

COc1ccc(CNC(=O)NC[C@H](NC(=O)c2c(C)cc(OC(C)C)cc2C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CASR P41180 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATM Q13315 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
SCHEMBL21376641 0.91 ITGB1 (0.42) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL21358738 0.91 L3MBTL1 (0.48) ANPEPL3MBTL1ITGB1ITGA4NPC1
SCHEMBL21358736 0.91 L3MBTL1 (0.48) ANPEPL3MBTL1ITGB1ITGA4NPC1
SCHEMBL21376637 0.90 PPID (0.45) ALDH1A1LMNAL3MBTL1ITGB1ITGA4
SCHEMBL21376372 0.88 NAMPT (0.50) ALDH1A1LMNAKMT2AHTTL3MBTL1
SCHEMBL21358730 0.86 PTPN1 (0.54) ALDH1A1KMT2ACASRL3MBTL1ITGB1
SCHEMBL21358729 0.86 PTPN1 (0.54) ALDH1A1KMT2ACASRL3MBTL1ITGB1
SCHEMBL21376639 0.83 OPRM1 (0.43) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL21376375 0.83 POLB (0.54) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL21376373 0.80 HPGD (0.53) ALDH1A1LMNAKMT2AHTTRAB9A

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-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
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