SCHEMBL7181728

SCHEMBL7181728

COc1ccccc1C(=O)[C@](O)(C(=O)O)[C@@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.43
CTSD P07339 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
XBP1 P17861 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2722029 1.00 HPGD (0.43) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL4955700 0.87 USP2 (0.43) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL8065805 0.84 CA12 (0.50) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL8066720 0.84 CA12 (0.50) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL8065796 0.84 CA12 (0.50) KMT2APOLBSMN1; SMN2CA12CA1
SCHEMBL3644471 0.80 HPGD (0.40) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL29869399 0.80 HPGD (0.40) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL248670 0.80 HPGD (0.40) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL1443195 0.80 HPGD (0.40) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL698329 0.79 NPC1 (0.51) HPGDALDH1A1NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311265-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS Targacept, Inc. (US) 2003-05-21 EP claimed
WO-2002005798-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING NEUROLOGICAL DISORDERS TARGACEPT, INC. (US) 2002-01-24 WO claimed