SCHEMBL17326801

SCHEMBL17326801

CCCCOc1cc(-n2ccc3cc(C(=O)OC)ccc32)ccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.41
▸ PLA2G4A P47712 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL17326802 0.90 RXRA (0.48) RXRAPLA2G4ATP53TSHR
SCHEMBL17326621 0.88 RXRA (0.42) RXRAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17326601 0.88 RXRA (0.50) RXRAPLA2G4AALDH1A1HPGDTP53
SCHEMBL17326792 0.86 KDM4E (0.43) PLA2G4AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17326800 0.84 KDM4E (0.41) PLA2G4AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL17326622 0.78 RXRA (0.51) RXRAROCK2PIM1PIM3
SCHEMBL17326803 0.77 AR (0.39) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17326620 0.76 AR (0.38) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17326617 0.75 RXRA (0.48) RXRAKDM4EPOLB
SCHEMBL140918 0.72 ROCK2 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; 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-2015187850-A2 COMPOUNDS AND METHODS FOR TREATMENT OF OCULAR DISORDERS DUKE UNIVERSITY (US) 2015-12-10 — — WO disclosed
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