SCHEMBL7725129

SCHEMBL7725129

COC(=O)CCCc1ccc(OCC(C)C)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
AKR1C3 P42330 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MGLL Q99685 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 2/20 0.40
ADRB3 P13945 1/20 0.40
C5AR1 P21730 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
SCHEMBL7735868 0.93 PTPN1 (0.58) PTPN1AKR1C3PTGDR2KMT2ATP53
SCHEMBL7735299 0.90 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7734077 0.90 PPARD (0.47) AKR1C3PPARGPPARDPPARAPTGDR2
SCHEMBL7734111 0.89 PTPN1 (0.49) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7734083 0.88 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7735763 0.86 PTPN1 (0.54) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7737515 0.85 THRA (0.49) PTPN1AKR1C3PLAAT3PLAAT5PLAAT2
SCHEMBL7735887 0.85 PTPN1 (0.47) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7734883 0.84 TP53 (0.52) AKR1C3PPARGPPARDPPARAPTGDR2
SCHEMBL7735854 0.84 PTPN1 (0.48) 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