SCHEMBL5766

SCHEMBL5766

[CH2]Cc1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.44
BRD9 Q9H8M2 1/20 0.43
METAP1 P53582 1/20 0.41
BRD4 O60885 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
CTSL P07711 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
IDO1 P14902 1/20 0.39
SLC29A1 Q99808 1/20 0.39
AKT1 P31749 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13980716 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL29991524 0.87 POLB (0.50) LMNAPOLBRXFP1ALDH1A1TSHR
SCHEMBL29729975 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL646870 0.86 ALDH1A1 (0.50) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL6595061 0.86 LMNA (0.49) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL646786 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL30476615 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL17220667 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL29729882 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL19924407 0.84 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed