Sugi Predict

Sugi Predict / Compounds / SCHEMBL10780366

SCHEMBL10780366

SCHEMBL10780366

CCCCCCCCCc1ccccc1OCC(C)OCC(C)OCC(C)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 13/20 0.53
▸ ADRB1 P08588 11/20 0.53
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ PPARA Q07869 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 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
SCHEMBL19086948 1.00 ADRB2 (0.53) ADRB2ADRB1THRATHRBLIPG
SCHEMBL15269372 0.93 ADRB2 (0.50) ADRB2ADRB1
SCHEMBL9162198 0.89 ADRB2 (0.60) ADRB2ADRB1THRATHRBLIPG
SCHEMBL8588062 0.89 ADRB2 (0.60) ADRB2ADRB1THRATHRBLIPG
SCHEMBL10780358 0.86 THRA (0.43) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9858028 0.84 ADRB2 (0.54) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9364948 0.84 ADRB2 (0.54) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9858321 0.84 ADRB2 (0.54) ADRB2ADRB1THRATHRBLIPG
SCHEMBL12195812 0.83 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL74054 0.83 ADRB2 (0.56) ADRB2ADRB1

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
US-4694052-A ACRYLATED POLYURETHANE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-09-15 — — US disclosed