SCHEMBL7323576

SCHEMBL7323576

COc1c(O)c(C)c(CCCCO)c(O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.38
IMPDH1 P20839 4/20 0.38
IMPDH2 P12268 3/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAOA P21397 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPK1 P28482 1/20 0.38
AVPR2 P30518 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
HTT P42858 1/20 0.38
PDE3A Q14432 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SLC29A1 Q99808 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7413599 0.98 ALOX5 (0.41) ALOX5IMPDH1IMPDH2LMNAPGR
SCHEMBL7325280 0.98 ALOX5 (0.41) ALOX5IMPDH1IMPDH2LMNAPGR
SCHEMBL1241214 0.98 ALOX5 (0.41) ALOX5IMPDH1IMPDH2LMNAPGR
SCHEMBL8293476 0.94 TNKS2 (0.41) ALOX5IMPDH1IMPDH2LMNAPGR
SCHEMBL7361916 0.88 IMPDH2 (0.46) ALOX5IMPDH1IMPDH2TDP1TNKS2
SCHEMBL27633903 0.85 ALOX5 (0.53) ALOX5MAPTTDP1
SCHEMBL23909143 0.83 ALOX5 (0.37) ALOX5IMPDH1IMPDH2
SCHEMBL26969207 0.83 ALOX5 (0.55) ALOX5MAPTTDP1
SCHEMBL23888077 0.83 ALOX5 (0.55) ALOX5MAPTTDP1
SCHEMBL23903704 0.81 ALOX5 (0.40) ALOX5IMPDH1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed