SCHEMBL7696900

SCHEMBL7696900

COc1ccc(S(=O)(=O)NCC2Cc3c(sc(NC4CCCCO4)c3C(=O)O)CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 4/20 0.46
HSD17B10 Q99714 1/20 0.46
CXCR4 P61073 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.38
GLO1 Q04760 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6321274 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7159306 0.81 HPGD (0.52) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7860899 0.79 ALDH1A1 (0.39) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7563366 0.78 ALDH1A1 (0.42) ALDH1A1NPC1HSD17B10KMT2AMEN1
SCHEMBL6318332 0.75 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL6322737 0.75 ALDH1A1 (0.42) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7158445 0.74 UBE2N (0.35) ALDH1A1HPGDKMT2AMEN1
SCHEMBL7156639 0.74 RAB7A (0.42) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7159868 0.74 HPGD (0.47) ALDH1A1LMNAHPGDSMN1; SMN2NPC1
SCHEMBL7864344 0.73 RAB7A (0.36) ALDH1A1HPGDSMN1; SMN2NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed