SCHEMBL4776403

SCHEMBL4776403

COc1ccc2c(C(=O)O)c(-c3ccc(NC(=O)OC(C)C)cc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47

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
SCHEMBL2881403 0.87 HPGD (0.56) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2878635 0.77 NPC1 (0.60) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9357891 0.74 RAB9A (1.00) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL4878704 0.71 GPR17 (0.49) HPGDSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL8661193 0.71 TUBB4A (0.64) HPGDCYP1A2CYP2C19SMN1; SMN2TUBB4A
SCHEMBL4780752 0.70 NPC1 (0.44) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL15143918 0.68 SMN1; SMN2 (0.79) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL17422723 0.68 PDGFRB (0.48) NPC1RAB9ASMN1; SMN2DHODHKDM4E
SCHEMBL5623658 0.68 NPC1 (0.63) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12105957 0.67 SMN1; SMN2 (0.59) HPGDNPC1CYP1A2CYP2D6CYP2C9

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-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed