SCHEMBL9637017

SCHEMBL9637017

COC(=O)CC(=O)CC(=O)c1ccc(C)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
TDO2 P48775 2/20 0.61
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PLG P00747 2/20 0.43
KLK1 P06870 2/20 0.43
KLK6 Q92876 2/20 0.43
POLB P06746 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 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
SCHEMBL11582961 0.83 IDO1 (0.58) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL8876085 0.82 RAB9A (0.66) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL31320843 0.78 RAB9A (0.70) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL4225391 0.78 RAB9A (0.70) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL8464964 0.78 RAB9A (0.70) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL1890826 0.77 RAB9A (0.59) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL13648923 0.77 IDO1 (0.59) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL3174922 0.76 NPC1 (0.66) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL135979 0.74 CA12 (0.69) IDO1TDO2RAB9ANPC1KMT2A
SCHEMBL9639259 0.74 HSP90AB1 (0.69) IDO1TDO2RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed