SCHEMBL7976084

SCHEMBL7976084

CCOC(=O)CC[C@@H](C(=O)OCC)N1Cc2cc(NC)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
THRB P10828 2/20 0.42
DHFR P00374 3/20 0.41
TYMS P04818 3/20 0.41
SLC19A1 P41440 2/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6450587 0.85 TNF (0.46) LMNATHRBDHFRSLC19A1MAPT
SCHEMBL6446130 0.85 TNF (0.46) LMNATHRBDHFRSLC19A1MAPT
SCHEMBL6651478 0.80 DHFR (0.54) LMNADHFRTYMSSLC19A1MAPT
SCHEMBL7990232 0.75 TYMS (0.78) DHFRTYMSSLC19A1
SCHEMBL7501783 0.75 TYMS (0.78) DHFRTYMSSLC19A1
SCHEMBL24696967 0.75 DHFR (0.41) LMNATHRBDHFRTYMSSLC19A1
SCHEMBL31134672 0.74 NPC1 (0.55) LMNATHRBDHFRSLC19A1MAPT
SCHEMBL25032020 0.73 ALOX15 (0.40) LMNATHRBMAPTKDM4EALOX15
SCHEMBL24696964 0.72 DHFR (0.41) LMNATHRBDHFRTYMSSLC19A1
SCHEMBL22006754 0.69 DHFR (0.43) LMNATHRBDHFRTYMSSLC19A1

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
US-6306865-B1 SYNTHASE INHIBITORS AND ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-10-23 US disclosed
WO-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed