SCHEMBL6952633

SCHEMBL6952633

CC(=O)Nc1nccc(C(C)C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
PRNP P04156 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL29286236 0.81 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2TSHRNAPRTHSD17B10
SCHEMBL11465233 0.76 LMNA (0.41) LMNASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL6947890 0.73 NOS3 (0.47) PTGS1PTGS2KDM4CALDH1A1NAPRT
SCHEMBL22977449 0.73 MAPT (0.44) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL17610582 0.73 LMNA (0.40) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL25193541 0.73 LMNA (0.43) LMNASMN1; SMN2ALDH1A1TSHRNAPRT
SCHEMBL30449348 0.73 MAPT (0.44) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL25191601 0.71 LMNA (0.38) LMNAALDH1A1POLBKDM4EMEN1
SCHEMBL25194989 0.71 MAPK8 (0.36) LMNASMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL27656965 0.70 ACHE (0.41) LMNAMAPK1SMN1; SMN2ALDH1A1TSHR

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
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed