SCHEMBL9858321

SCHEMBL9858321

CCCCCCCCc1ccccc1OCC(C)OO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.54
ADRB1 P08588 8/20 0.54
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
LIPG Q9Y5X9 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
PPARA Q07869 2/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 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
SCHEMBL9364948 1.00 ADRB2 (0.54) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9858028 1.00 ADRB2 (0.54) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9162198 0.85 ADRB2 (0.60) ADRB2ADRB1THRATHRBLIPG
SCHEMBL8588062 0.85 ADRB2 (0.60) ADRB2ADRB1THRATHRBLIPG
SCHEMBL19086948 0.84 ADRB2 (0.53) ADRB2ADRB1THRATHRBLIPG
SCHEMBL10780366 0.84 ADRB2 (0.53) ADRB2ADRB1THRATHRBLIPG
SCHEMBL6843990 0.84 ADRB2 (0.66) ADRB2ADRB1THRATHRBLIPG
SCHEMBL29143315 0.83 ADRB2 (0.49) ADRB2ADRB1THRATHRBLTB4R
SCHEMBL10771710 0.81 ADRB2 (0.47) ADRB2ADRB1THRATHRBLIPG
SCHEMBL9182969 0.81 ADRB2 (0.56) ADRB2ADRB1THRATHRBLIPG

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
US-4745142-A POLYETHER, POLYESTER COPOLYMERS MODIFIED BY ALCOHOLS TEIJIN LIMITED (JP) 1988-05-17 US claimed
EP-0220576-B1 STAINPROOF POLYESTER FIBER TEIJIN LIMITED (JP) 1991-01-02 EP disclosed
US-4745142-A POLYETHER, POLYESTER COPOLYMERS MODIFIED BY ALCOHOLS TEIJIN LIMITED (JP) 1988-05-17 US disclosed