SCHEMBL17326618

SCHEMBL17326618

CC(C)c1ccc(-n2c(N)nc3cc(C(=O)O)ccc32)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAP4K4 O95819 1/20 0.43
▸ TYMS P04818 1/20 0.42
▸ PTGER1 P34995 3/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLRA1 P23415 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL17326569 0.88 RXRA (0.50) RXRASMN1; SMN2HSD17B10THRBPTGER1
SCHEMBL17326619 0.86 RXRA (0.47) RXRASMN1; SMN2HSD17B10THRBTYMS
SCHEMBL17326599 0.86 RXRA (0.52) RXRASMN1; SMN2HSD17B10THRB
SCHEMBL17326617 0.79 RXRA (0.48) RXRATYMSPTGER1MRGPRX4KDM4E
SCHEMBL18950565 0.75 HSD17B10 (0.70) RXRASMN1; SMN2HSD17B10THRBKDM4E
SCHEMBL17326555 0.74 RXRA (0.47) RXRASMN1; SMN2HSD17B10THRBPTGER1
SCHEMBL17326600 0.73 RXRA (0.61) RXRASMN1; SMN2THRB
SCHEMBL3918347 0.71 GLRA1 (0.59) RXRASMN1; SMN2THRBPTGER1MRGPRX4
SCHEMBL2030743 0.67 SIRT2 (0.71) HSD17B10KDM4E
SCHEMBL2696717 0.67 HSD17B10 (0.58) SMN1; SMN2HSD17B10THRBHTT

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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