SCHEMBL4157627

SCHEMBL4157627

CC(C)(C)c1ccc(-c2ncccc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 6/20 0.56
TSHR P16473 2/20 0.56
RAB9A P51151 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
TRPV1 Q8NER1 5/20 0.46
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL19654924 0.87 POLB (0.68) POLBL3MBTL1TSHRRAB9ACASP3
SCHEMBL20025053 0.80 POLB (0.64) POLBL3MBTL1TSHRRAB9ACASP3
SCHEMBL4741015 0.80 ALDH1A1 (0.49) POLBL3MBTL1TSHRRAB9ACASP3
SCHEMBL3935826 0.79 KDM4E (0.61) ALDH1A1KMT2AKDM4ETDP1TRPV1
SCHEMBL20192067 0.77 POLB (0.64) POLBL3MBTL1TSHRRAB9ACASP3
SCHEMBL2564440 0.75 ALDH1A1 (0.60) L3MBTL1TSHRRAB9AALDH1A1KMT2A
SCHEMBL6266108 0.75 POLB (0.69) POLBL3MBTL1TSHRRAB9ACASP3
SCHEMBL18320469 0.75 KMT2A (0.69) L3MBTL1RAB9AALDH1A1KMT2ATDP1
SCHEMBL2858512 0.74 TRPV1 (0.51) L3MBTL1TSHRRAB9AALDH1A1KMT2A
SCHEMBL20192070 0.74 L3MBTL1 (0.59) POLBL3MBTL1TSHRRAB9ACASP3

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
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed