SCHEMBL7328264

SCHEMBL7328264

Cc1c(C)c(O)c(CCCCCCO)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPK1 P28482 1/20 0.34
AVPR2 P30518 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
HTT P42858 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7324230 0.91 ALOX5 (0.38) ALOX5
SCHEMBL12134619 0.82 TYR (0.48) ALOX5LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL13427739 0.82 TYR (0.48) ALOX5LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL7607107 0.82 TYR (0.48) ALOX5LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL14030867 0.82 TYR (0.48) ALOX5LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL7325280 0.78 ALOX5 (0.41) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL7413599 0.78 ALOX5 (0.41) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL28235161 0.78 TYR (0.38) ALOX5LMNAALDH1A1HSD17B10CYP3A4
SCHEMBL7330296 0.75 TLR8 (0.35) ALOX5LMNAALDH1A1HSD17B10PGR
SCHEMBL7323576 0.75 ALOX5 (0.38) ALOX5LMNAPGRCYP3A4CYP2D6

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