SCHEMBL13190035

SCHEMBL13190035

C=C(COc1cccc(NC(=O)c2cc(-c3cccc(F)c3)ccc2F)c1)OCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.49
F10 P00742 3/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
BCL9 O00512 4/20 0.41
CTNNB1 P35222 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
MAPK1 P28482 2/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 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
SCHEMBL3662869 0.92 PTGER2 (0.52) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL3662871 0.86 PTGER2 (0.50) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL3660760 0.84 ALDH1A1 (0.55) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL29781355 0.84 PTGER2 (0.67) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL3062083 0.84 PTGER2 (0.67) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL29372302 0.84 PTGER2 (0.67) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL3659169 0.83 PTGER2 (0.55) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL13189474 0.83 KMT2A (0.52) PTGER2MAPTLMNASMN1; SMN2NPC1
SCHEMBL13757307 0.83 PTGER2 (0.51) PTGER2F10MAPTLMNASMN1; SMN2
SCHEMBL3050603 0.82 PTGER2 (0.52) PTGER2F10MAPTLMNASMN1; 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-2010111449-A1 INTRAOCULAR SUSTAINED RELEASE DRUG DELIVERY SYSTEMS AND METHODS FOR TREATING OCULAR CONDITIONS ALLERGAN, INC. (US) 2010-09-30 WO disclosed