SCHEMBL29617634

SCHEMBL29617634

COc1cc(CBr)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
IDO1 P14902 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
DPP4 P27487 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CETP P11597 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3943050 1.00 RXRA (0.46) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL14269963 0.83 RXRA (0.47) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL17703908 0.83 RXRA (0.47) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL12440168 0.83 RXRA (0.47) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL3948413 0.81 RXRA (0.49) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL17994027 0.81 RXRA (0.46) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL6293670 0.81 RXRA (0.46) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL9886095 0.80 RXRA (0.44) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL9885348 0.80 RXRA (0.44) RXRARXRBRXRGIDO1HSP90AA1
SCHEMBL107565 0.80 IDO1 (0.52) RXRARXRBRXRGIDO1TACR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed