SCHEMBL26179843

SCHEMBL26179843

COCc1ccc(OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
S1PR1 P21453 9/20 0.45
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR4 O95977 1/20 0.41
P2RX3 P56373 1/20 0.40
CSNK2A1 P68400 2/20 0.40
IDO1 P14902 2/20 0.40
S1PR3 Q99500 2/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL14328002 0.84 RXRA (0.57) RXRARXRBRXRGS1PR1CTSS
SCHEMBL25735783 0.83 S1PR1 (0.45) S1PR1IDO1PTPN1
SCHEMBL2415055 0.83 RXRA (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL30488261 0.83 RXRA (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL2019451 0.83 RXRA (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL932902 0.83 RXRA (0.56) RXRARXRBRXRGS1PR1CTSS
SCHEMBL247961 0.83 CSNK2A1 (0.59) RXRARXRBRXRGS1PR1CTSS
SCHEMBL22310791 0.77 CSNK2A1 (0.44) P2RX3CSNK2A1MEN1LMNAKMT2A
SCHEMBL27821346 0.76 RXRA (0.48) RXRARXRBRXRGCTSSCTSK
SCHEMBL26291514 0.76 RXRA (0.46) RXRARXRBRXRGS1PR1CTSS

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-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed