SCHEMBL5842436

SCHEMBL5842436

O=C(Cc1ccc2c(c1)OCO2)NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK8 P45983 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL6428209 0.88 HPGD (0.54) USP2TSHRRAB9AHPGDNPC1
SCHEMBL5844070 0.86 HPGD (0.39) USP2TSHRRAB9AHPGDNPC1
SCHEMBL7859642 0.84 KDM4E (0.39) TSHRRAB9AHPGDNPC1POLB
SCHEMBL7864344 0.79 RAB7A (0.36) RAB9AHPGDNPC1POLBCYP3A4
SCHEMBL7160354 0.79 HPGD (0.45) TSHRRAB9AHPGDNPC1HSD17B10
SCHEMBL7159868 0.78 HPGD (0.47) USP2TSHRRAB9AHPGDNPC1
SCHEMBL7861292 0.76 ALDH1A1 (0.52) USP2TSHRHPGDPOLBCYP3A4
SCHEMBL7162038 0.75 MAPT (0.54) RAB9APOLBLMNA
SCHEMBL7860229 0.75 GAA (0.40) USP2HPGDPOLBCYP1A2CYP3A4
SCHEMBL7159306 0.75 HPGD (0.52) RAB9AHPGDNPC1POLBLMNA

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-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed