SCHEMBL24595672

SCHEMBL24595672

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
NOD2 Q9HC29 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
KLK7 P49862 1/20 0.35
MAPT P10636 2/20 0.35
MIF P14174 1/20 0.35
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.34
USP2 O75604 2/20 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
SCHEMBL18535505 0.86 NPC1 (0.42) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL24590534 0.84 MAOB (0.42) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL21524280 0.83 KDM4E (0.35) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL18535454 0.78 MIF (0.57) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL24595646 0.74 RXFP1 (0.42) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL21116041 0.73 THRB (0.36) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL25848189 0.71 THRB (0.41) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL25848158 0.71 THRB (0.41) RXFP1KDM4EALDH1A1HPGDGAA
SCHEMBL23893565 0.69 THRB (0.39) MAOBMAOACA12CA2CA3
SCHEMBL24595670 0.69 KLK7 (0.40) RXFP1KDM4EALDH1A1HPGDGAA

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