SCHEMBL7815451

SCHEMBL7815451

CC(C)(C)OC(=O)CCNCS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA1 P00915 1/20 0.40
MMP13 P45452 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
PSIP1 O75475 1/20 0.39
P2RY12 Q9H244 1/20 0.38
CA9 Q16790 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
SCHEMBL5384990 0.78 DRD2 (0.37)
SCHEMBL7980857 0.78 BCAT1 (0.45) MAPTCA12CA7CA14CA1
Hydrochloric Acid SCHEMBL7447734 0.77 BCAT1 (0.44) MAPTCA12CA7CA14CA1
SCHEMBL9102803 0.77 ATM (0.52) MAPTCA12CA7CA14CA1
SCHEMBL15806525 0.77 MAPT (0.55) HSD11B1MAPTCA12CA7CA14
SCHEMBL7141839 0.75 CA12 (0.50) MAPTCA12CA7CA14ALDH1A1
SCHEMBL14927255 0.75 HSD11B1 (0.53) HSD11B1ALDH1A1TP53NPC1RECQL
SCHEMBL20094984 0.73 ALDH1A1 (0.49) MAPTL3MBTL1ALDH1A1
SCHEMBL7137606 0.73 SIGMAR1 (0.54) L3MBTL1
SCHEMBL5151596 0.73 POLB (0.44) MAPTCA12CA7CA14CA1

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
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed