SCHEMBL7438402

SCHEMBL7438402

CC(C)(C)CC(=O)ONN

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MIF P14174 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL27749642 0.79 LMNA (0.34) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL1629951 0.78 MIF (0.33) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL28792640 0.74 MIF (0.32) LMNAMIF
SCHEMBL27749345 0.74 MIF (0.36) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL167149 0.74
SCHEMBL4316216 0.73 MGAM (0.36) LMNATSHR
SCHEMBL8428953 0.73 DGAT1 (0.35) CA1CA2CA7CA14
SCHEMBL28310176 0.73 DPP4 (0.34) LMNA
SCHEMBL8719786 0.72
Ammonia Solution, Strong SCHEMBL3909004 0.72 TSHR (0.48) LMNANPC1TP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104449892-A Methanol fuel additive and preparation method thereof SHAANXI BAOJIANG NEW ENERGY TECHNOLOGY R & D CO LTD 2015-03-25 CN disclosed
EP-0767661-A4 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP INC (US) 1998-06-10 EP disclosed
EP-0767661-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1997-04-16 EP disclosed
US-5565430-A Azaaspartic acid analogs as interleukin-1β converting enzyme inhibitors STERLING WINTHROP INC. (US) 1996-10-15 US disclosed
WO-1996003982-A1 AZAASPARTIC ACID ANALOGS AS INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS SANOFI WINTHROP, INC. (US) 1996-02-15 WO disclosed