SCHEMBL7330296

SCHEMBL7330296

Cc1cc(C)c(CCCCCCO)c(O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
ALOX5 P09917 5/20 0.33
BCHE P06276 2/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TYR P14679 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
LMNA P02545 2/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
AVPR2 P30518 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL10058175 1.00 TLR8 (0.35) TLR8ALOX5BCHEPGK1PGK2
SCHEMBL5800572 0.82 CYP19A1 (0.46) ALOX5ALDH1A1TYRLMNACYP3A4
SCHEMBL7329199 0.79 F13A1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL7319898 0.79 F13A1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL7330244 0.79 F13A1 (0.47) ALDH1A1LMNAMAPT
SCHEMBL7328264 0.75 ALOX5 (0.36) ALOX5BCHEALDH1A1TYRLMNA
SCHEMBL10547778 0.75 ALOX5 (0.50) ALOX5TNKS2LMNAPGRCYP3A4
SCHEMBL10058345 0.75 HPGD (0.43) ALDH1A1LMNAMAPTHSD17B10
SCHEMBL15725312 0.74 TLR8 (0.40) TLR8PGK1PGK2ALDH1A1TNKS2
SCHEMBL7408439 0.73 ALOX5 (0.52) ALOX5TNKS2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-51128932-A None JP disclosed
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
JP-S51128932-A ORGANIC COMPOUNDS TAKEDA CHEM IND LTD 1976-11-10 JP disclosed