SCHEMBL8318700

SCHEMBL8318700

CC(=O)Oc1coc2c(OC(C)=O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
KDM4E B2RXH2 6/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL28572048 0.92 LMNA (0.50) TSHRKDM4ELMNATDP1HTT
SCHEMBL8318696 0.89 TSHR (0.47) TSHRKDM4ELMNATDP1HTT
SCHEMBL7528166 0.85 PTGIR (0.53) TSHRKDM4ELMNATDP1HTT
SCHEMBL28731922 0.85 TSHR (0.49) TSHRKDM4ELMNATDP1HTT
SCHEMBL31493900 0.85 TSHR (0.49) TSHRKDM4ELMNATDP1HTT
SCHEMBL20509857 0.84 KDM4E (0.54) TSHRKDM4ELMNATDP1HTT
SCHEMBL13518868 0.82 LMNA (0.52) TSHRKDM4ELMNATDP1HTT
SCHEMBL7958900 0.81 PTGIR (0.46) TSHRKDM4ELMNATDP1HTT
SCHEMBL7956638 0.79 TSHR (0.44) TSHRKDM4ELMNATDP1MAPK1
SCHEMBL10883607 0.78 KDM4E (0.65) TSHRKDM4ELMNATDP1HTT

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
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed