SCHEMBL7734083

SCHEMBL7734083

CCC(O)COc1ccc(CCCC(=O)OC)cc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
ADRB2 P07550 4/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ABCB1 P08183 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7735390 0.94 PTPN1 (0.55) PTPN1ADRB2ADRB1ADRB3CYP2D6
SCHEMBL7725085 0.90 PPARG (0.45) ADRB2ADRB1CYP2D6PPARGPPARD
SCHEMBL7735299 0.89 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7725129 0.88 PTPN1 (0.51) PTPN1ADRB3PLAAT3PLAAT5PLAAT2
SCHEMBL7735382 0.85 FFAR4 (0.48) PPARGPPARDPPARAPTGDR2KCNH2
SCHEMBL7737515 0.84 THRA (0.49) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7737650 0.84 THRA (0.53) PTPN1PPARGPPARA
SCHEMBL7735763 0.83 PTPN1 (0.54) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7735357 0.83 PTPN1 (0.50) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7734111 0.82 PTPN1 (0.49) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376546-B1 ANTIALLERGENS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1024130-A1 BIPHENYL-5-ALKANOIC ACID DERIVATIVES AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-08-02 EP disclosed