SCHEMBL8676754

SCHEMBL8676754

CCCCCCSc1c(Cl)c2c(c(Cl)c1SCCCCCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.46
THRB P10828 3/20 0.41
SOAT1 P35610 9/20 0.39
GPR84 Q9NQS5 6/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 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
SCHEMBL8677885 1.00 P4HB (0.46) P4HBTHRBSOAT1GPR84ELANE
SCHEMBL8680447 0.83 P4HB (0.46) P4HBTHRBSOAT1GPR84ELANE
SCHEMBL8676993 0.83 P4HB (0.46) P4HBTHRBSOAT1GPR84ELANE
SCHEMBL2164874 0.79 P4HB (0.45) P4HBTHRBSOAT1ELANECTSG
SCHEMBL12402081 0.75 P4HB (0.50) P4HBSOAT1GPR84
SCHEMBL11884526 0.72 KDM4E (0.51) P4HBTHRBSOAT1ELANECTSG
SCHEMBL10455213 0.72 ALDH1A1 (0.43) THRBSOAT1GPR84
SCHEMBL11853936 0.70 THRB (0.40) THRBGPR84
SCHEMBL11853357 0.70 THRB (0.40) THRBGPR84
SCHEMBL11852924 0.70 THRB (0.40) THRBGPR84

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
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed