SCHEMBL7560686

SCHEMBL7560686

NC(=O)N(c1ccccc1)C(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
TRPM8 Q7Z2W7 3/20 0.44
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL5151874 0.89 LMNA (0.46) ALOX5TRPM8LMNACYP2C19ALDH1A1
SCHEMBL3568466 0.89 TRPM8 (0.41) ALOX5TRPM8CYP2D6LMNACYP3A4
SCHEMBL10595995 0.86 ALDH1A1 (0.46) ALOX5TRPM8CYP2D6SRCLMNA
SCHEMBL27518180 0.81 GAA (0.45) TRPM8CYP2D6SRCLMNAMAPK1
SCHEMBL1896509 0.81 GAA (0.45) TRPM8CYP2D6SRCLMNAMAPK1
Hydrochloric Acid SCHEMBL10825477 0.80 GAA (0.44) TRPM8CYP2D6SRCLMNAMAPK1
SCHEMBL5851718 0.78 ALOX5 (0.42) ALOX5TRPM8CYP2D6SRCLMNA
SCHEMBL5801209 0.78 TRPM8 (0.47) ALOX5TRPM8MAPTHSD17B10ALDH1A1
SCHEMBL28275848 0.78 SRC (0.50) ALOX5TRPM8CYP2D6SRCLMNA
SCHEMBL27599780 0.77 LMNA (0.46) TRPM8CYP2D6SRCLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235793-A2 VLA-4 INTEGRIN ANTAGONISTS Novartis AG (CH) 2002-09-04 EP disclosed
US-6432923-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES NOVARTIS AG (CH) 2002-08-13 US disclosed
US-6407065-B1 PREVENT CELL ADHESION; ANTIINFLAMMTORY AGENTS, RESPIRATORY SYSTEM DISORDERS NOVARTIS AG (CH) 2002-06-18 US disclosed
WO-2001042192-A2 VLA-4 INTEGRIN ANTAGONISTS NOVARTIS AG (CH) 2001-06-14 WO disclosed
EP-1049665-A1 VLA-4 ANTAGONISTS Novartis AG (Novartis SA) (Novartis Inc.) (CH) 2000-11-08 EP disclosed
WO-1999037605-A1 VLA-4 ANTAGONISTS NOVARTIS AG (CH) 1999-07-29 WO disclosed