SCHEMBL17326599

SCHEMBL17326599

CCCCCOc1cc(-n2c(N)nc3cc(C(=O)O)ccc32)ccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 11/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ THRB P10828 1/20 0.42
▸ HCAR3 P49019 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL17326569 0.89 RXRA (0.50) RXRASMN1; SMN2THRBHCAR3HSD17B10
SCHEMBL17326600 0.86 RXRA (0.61) RXRASMN1; SMN2THRBHCAR3PTPN11
SCHEMBL17326618 0.86 RXRA (0.50) RXRASMN1; SMN2THRBHSD17B10
SCHEMBL17326601 0.79 RXRA (0.50) RXRAPTPN11RXRBRXRG
SCHEMBL17326802 0.77 RXRA (0.48) RXRAPTPN11RXRBRXRG
SCHEMBL17326555 0.75 RXRA (0.47) RXRASMN1; SMN2THRBHCAR3HSD17B10
SCHEMBL17326619 0.73 RXRA (0.47) RXRASMN1; SMN2THRBHSD17B10RXRB
SCHEMBL18950565 0.71 HSD17B10 (0.70) RXRASMN1; SMN2THRBHCAR3HSD17B10
SCHEMBL17325983 0.68 RXRA (1.00) RXRARXRBRXRG
SCHEMBL17326801 0.67 RXRA (0.41) RXRASMN1; SMN2HSD17B10

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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