SCHEMBL17326600

SCHEMBL17326600

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 11/20 0.61
▸ PPARG P37231 1/20 0.51
▸ NR1H3 Q13133 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PLA2G2D Q9UNK4 1/20 0.41
▸ HCAR3 P49019 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ THRB P10828 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
SCHEMBL17326555 0.89 RXRA (0.47) RXRAPPARGNR1H3SMN1; SMN2HCAR3
SCHEMBL17326619 0.87 RXRA (0.47) RXRAPPARGNR1H3SMN1; SMN2THRB
SCHEMBL17326599 0.86 RXRA (0.52) RXRASMN1; SMN2HCAR3PTPN11THRB
SCHEMBL17326601 0.76 RXRA (0.50) RXRAPTPN11
SCHEMBL17326569 0.75 RXRA (0.50) RXRAPPARGSMN1; SMN2HCAR3THRB
SCHEMBL17326802 0.74 RXRA (0.48) RXRAPTPN11
SCHEMBL25484516 0.73 RXRA (0.63) RXRASMN1; SMN2PTPN11
SCHEMBL17326618 0.73 RXRA (0.50) RXRASMN1; SMN2THRB
SCHEMBL22250090 0.71 RXRA (0.49) RXRAPPARGNR1H3SMN1; SMN2HCAR3
SCHEMBL22235452 0.70 RXRA (0.54) RXRAPPARGNR1H3SMN1; SMN2HCAR3

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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