SCHEMBL8243200

SCHEMBL8243200

CC(C)(F)c1ccc(-c2ccc(NC(=O)C(O)C(O)C(=O)N3CCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CNR2 P34972 4/20 0.41
CNR1 P21554 2/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 4/20 0.39
KIF11 P52732 2/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
RORC P51449 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL14494432 1.00 MAPT (0.41) MAPTCNR2CNR1ALDH1A1NPSR1
SCHEMBL8215633 0.90 KIF11 (0.50) MAPTCNR2CNR1EPHX2KIF11
SCHEMBL8212418 0.83 TAAR1 (0.49) MAPTALDH1A1NPSR1EPHX2KMT2A
SCHEMBL8216222 0.75 NPC1 (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8216081 0.74 MAPT (0.56) MAPTALDH1A1NPSR1KMT2ASMN1; SMN2
SCHEMBL8212617 0.74 NPC1 (0.54) MAPTALDH1A1NPSR1EPHX2KMT2A
SCHEMBL8212684 0.74 ROCK1 (0.38) MAPTALDH1A1NPSR1KMT2ASMN1; SMN2
SCHEMBL8207992 0.73 KIF11 (0.58) MAPTALDH1A1EPHX2KIF11KMT2A
SCHEMBL8215635 0.73 NPC1 (0.61) MAPTCNR2ALDH1A1SMN1; SMN2NPC1
SCHEMBL8212593 0.72 SMN1; SMN2 (0.47) MAPTALDH1A1NPSR1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed