SCHEMBL24595692

SCHEMBL24595692

C=CC(=O)OC(C)(C)C(C)(C)Oc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.48
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
MIF P14174 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
POLB P06746 2/20 0.44
PTPN7 P35236 1/20 0.43
KLK7 P49862 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL18583698 0.88 STS (0.48) STSNPC1RAB9AMEN1KMT2A
SCHEMBL24595695 0.86 STS (0.48) STSNPC1RAB9AMEN1KMT2A
SCHEMBL24595690 0.84 STS (0.40) STSNPC1RAB9AMEN1KMT2A
SCHEMBL23713500 0.79 STS (0.51) STSNPC1RAB9AMEN1KMT2A
SCHEMBL18583392 0.78 NPC1 (0.72) STSNPC1RAB9AMEN1KMT2A
SCHEMBL24046224 0.78 NPC1 (0.70) STSNPC1RAB9AMEN1KMT2A
SCHEMBL9607852 0.78 RAB9A (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22625376 0.77 RXFP1 (0.59) STSNPC1RAB9AMEN1KMT2A
SCHEMBL18535585 0.77 NPC1 (0.37) STSNPC1RAB9AMEN1KMT2A
SCHEMBL21587890 0.76 NPC1 (0.61) NPC1RAB9AMEN1KMT2AKDM4E

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
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed