Sugi Predict

Sugi Predict / Compounds / SCHEMBL28201432

SCHEMBL28201432

SCHEMBL28201432

CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCCCCCCCCCCCCCCOC(=O)CC(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CNR2 P34972 5/20 0.40
▸ VCAM1 P19320 3/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28219118 0.89 ESR1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL27390100 0.89 ESR1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL11379145 0.87 THRA (0.51) THRATHRBGAAKMT2ACNR2
SCHEMBL10726564 0.87 THRA (0.51) THRATHRBGAAKMT2ACNR2
SCHEMBL25227497 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2
SCHEMBL2050437 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2
SCHEMBL283853 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2
SCHEMBL284357 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2
Octane SCHEMBL21828749 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2
SCHEMBL17491243 0.83 GAA (0.53) THRATHRBGAAKMT2ACNR2

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
CN-107698766-A Curable compositions, method, purposes and the device of side chain polysiloxane and correlation 道康宁公司 2018-02-16 — — CN disclosed