SCHEMBL20097487

SCHEMBL20097487

C=CCCCC/C=C(/CCCCCCCC)C(=O)O[C@@H]1C[C@H](O)[C@H](C/C=C\CCCC(=O)OC)[C@H]1CC[C@@H](O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 8/20 0.55
KDM4E B2RXH2 2/20 0.55
ABCB11 O95342 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
SLCO2A1 Q92959 1/20 0.52
PTGS1 P23219 1/20 0.49
PTGER1 P34995 2/20 0.42
PTGER2 P43116 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
AKR1C3 P42330 1/20 0.41
PDE4D Q08499 3/20 0.41
PTGER3 P43115 2/20 0.40
PTGER4 P35408 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
SCHEMBL20097485 0.94 SLCO2A1 (0.60) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL20097490 0.90 PTGFR (0.60) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL18651344 0.89 PTGFR (0.60) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL19931413 0.85 PTGFR (0.59) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL20097486 0.84 PDE4D (0.54) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL19845841 0.82 PTGFR (0.59) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL18656682 0.82 PTGFR (0.69) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL18651339 0.82 SLCO2A1 (0.67) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL18651349 0.82 PTGFR (0.72) PTGFRKDM4EABCB11MEN1MAPT
SCHEMBL19845843 0.81 PTGFR (0.62) PTGFRKDM4EABCB11MEN1MAPT

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
US-9956302-B2 Compounds and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2018-05-01 US disclosed