SCHEMBL7632059

SCHEMBL7632059

CCOC(=O)CCCOc1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.64
CYSLTR1 Q9Y271 3/20 0.64
PPARG P37231 1/20 0.60
BRD4 O60885 1/20 0.57
PDK2 Q15119 2/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
P2RY12 Q9H244 1/20 0.57
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 1/20 0.55
FFAR1 O14842 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LTA4H P09960 2/20 0.52
GAA P10253 1/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN7 P35236 1/20 0.50

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
SCHEMBL10620574 0.96 CYSLTR2 (0.62) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL10900455 0.87 BRD4 (0.54) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL30350621 0.86 BRD4 (0.55) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL30350748 0.86 BRD4 (0.55) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL19510935 0.86 BRD4 (0.55) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL3945405 0.85 HDAC1 (0.61) PPARGPDE3BPDE3AP2RY12HDAC1
SCHEMBL10080517 0.85 HTT (0.55) CYSLTR2CYSLTR1BRD4PDE3BPDE3A
SCHEMBL9132945 0.84 CYSLTR2 (0.54) CYSLTR2CYSLTR1PPARGBRD4PDK2
SCHEMBL27370553 0.83 PTPN7 (0.63) PPARGPDE3BPDE3AP2RY12MAPT
SCHEMBL767042 0.83 TDP1 (0.62) CYSLTR2CYSLTR1MAPTKDM4EALDH1A1

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
EP-0790260-B1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO LTD (JP) 2002-11-06 EP disclosed
US-5902765-A MADE BY REACTING A MAGNESIUM DIHALIDE WITH TETRAHYDROFURAN, BUTYL ETHER OR DIETHYL ETHER AND TREATING THE SOLID SUBSTANCE WITH AN ELECTRON DONATIVE COMPOUND HAVING TWO OR MORE ALKOXY OR ESTER GROUPS, CONTACTING WITH TITANIUM; STEREOREGULARITY JAPAN POLYOLEFINS CO., LTD. (JP) 1999-05-11 US disclosed
EP-0790260-A1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO., LTD. (JP) 1997-08-20 EP disclosed