SCHEMBL24595690

SCHEMBL24595690

C=CC(=O)OC(C)(C)C(C)(C)Oc1ccc2cc(-c3ccc(CC)cc3OC(F)(F)F)c(=O)oc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
KDM4E B2RXH2 8/20 0.38
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GLA P06280 5/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
PTPN7 P35236 1/20 0.37
MAOB P27338 2/20 0.36
SRD5A1 P18405 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL21116071 0.90 STS (0.39) STSKDM4EHPGDALDH1A1GLA
SCHEMBL27105819 0.88 STS (0.40) STSKDM4EHPGDALDH1A1GLA
SCHEMBL24595692 0.84 STS (0.48) STSKDM4EHPGDALDH1A1GLA
SCHEMBL18535585 0.83 NPC1 (0.37) STSKDM4EHPGDALDH1A1GLA
SCHEMBL18583697 0.82 THRB (0.40) STSKDM4EHPGDALDH1A1GLA
SCHEMBL27105761 0.80 THRB (0.37) STSKDM4EHPGDALDH1A1GAA
SCHEMBL18535452 0.79 MAOB (0.40) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL21116032 0.78 THRB (0.38) STSKDM4EHPGDALDH1A1GLA
SCHEMBL21116158 0.78 MIF (0.54) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL25848186 0.77 THRB (0.39) STSKDM4EHPGDALDH1A1GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958788-B1 SYSTEM AND METHOD AMO Ireland (IE) 2023-11-22 EP disclosed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed