SCHEMBL3709692

SCHEMBL3709692

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(OCc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
APAF1 O14727 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HTT P42858 1/20 0.39
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PTPN7 P35236 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
SCHEMBL3700669 0.92 NR1H4 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL3710883 0.82 NR1H4 (0.48) MAPTLMNAHPGDNR1H4SMPD1
SCHEMBL3709661 0.81 LPAR1 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3702204 0.81 TP53 (0.38) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3708634 0.81 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1NR1H4SMPD1
SCHEMBL2335539 0.80 LPAR1 (0.45) MAPTLMNAKDM4EGAANR1H4
SCHEMBL2335475 0.80 KDM4E (0.39) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3715778 0.79 KDM4E (0.38) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL3712524 0.79 LPAR1 (0.42) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL3702563 0.79 NR1H4 (0.46) NR1H4

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed