SCHEMBL7860892

SCHEMBL7860892

O=C(NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CO1)c1ccc2[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
CCR3 P51677 1/20 0.36
RAB9A P51151 2/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6321141 0.85 PTPN1 (0.40) SMYD3CCR3HDAC1HDAC2HDAC3
SCHEMBL6428209 0.84 HPGD (0.54) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7855442 0.82 KDM4E (0.55) RAB9AKMT2AALDH1A1HPGDHSD17B10
SCHEMBL7155233 0.81 SMN1; SMN2 (0.56) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7159306 0.80 HPGD (0.52) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7864273 0.79 HPGD (0.41) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7159868 0.79 HPGD (0.47) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL7160354 0.76 HPGD (0.45) RAB9AKMT2AALDH1A1HPGDHSD17B10
SCHEMBL7861252 0.76 HDAC1 (0.44) RAB9AHDAC1HDAC2KMT2AALDH1A1
SCHEMBL6400737 0.76 RAB7A (0.37) RAB9AMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed