SCHEMBL5528623

SCHEMBL5528623

O=C(O)CC(=O)Nc1cccc(F)c1CO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 4/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CXCL8 P10145 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL307626 0.81 NPC1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5862676 0.80 NLRP3 (0.52) SMN1; SMN2ALDH1A1MAPTPOLBHTT
SCHEMBL24420089 0.77 CA1 (0.42) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2209111 0.76 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL9754491 0.75 KMT2A (0.55) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL23832111 0.73 RAB9A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL23831796 0.72 MEN1 (0.61) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL9232955 0.72 TAAR1 (0.37) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL30105361 0.72 MEN1 (0.61) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL2010247 0.71 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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
EP-1338599-B1 Optically pure analogues of Camptothecin SOD CONSEILS RECH APPLIC (FR) 2007-02-14 EP disclosed
EP-1338599-A1 Optically pure analogues of Camptothecin Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-08-27 EP disclosed
EP-1165565-B1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOD CONSEILS RECH APPLIC (FR) 2003-06-04 EP disclosed
EP-1165565-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-02 EP disclosed
WO-2000050427-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-08-31 WO disclosed