SCHEMBL17326619

SCHEMBL17326619

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 7/20 0.47
▸ PPARG P37231 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ PTGER1 P34995 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40

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
SCHEMBL17326555 0.88 RXRA (0.47) RXRAPPARGNR1H3PTGER1SMN1; SMN2
SCHEMBL17326600 0.87 RXRA (0.61) RXRAPPARGNR1H3SMN1; SMN2THRB
SCHEMBL17326618 0.86 RXRA (0.50) RXRAPTGER1SMN1; SMN2HSD17B10MRGPRX4
SCHEMBL17326617 0.77 RXRA (0.48) RXRAPTGER1MRGPRX4TYMSRXRB
SCHEMBL17326569 0.74 RXRA (0.50) RXRAPPARGPTGER1SMN1; SMN2HSD17B10
SCHEMBL17326599 0.73 RXRA (0.52) RXRASMN1; SMN2HSD17B10THRBRXRB
SCHEMBL21577138 0.71 RXRA (0.45) RXRAPPARGNR1H3HSD17B10MRGPRX4
SCHEMBL22235452 0.69 RXRA (0.54) RXRAPPARGNR1H3SMN1; SMN2HSD17B10
SCHEMBL3918347 0.69 GLRA1 (0.59) RXRAPTGER1SMN1; SMN2MRGPRX4THRB
SCHEMBL1354911 0.69 PTGER1 (0.58) PTGER1MRGPRX4

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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