SCHEMBL8680447

SCHEMBL8680447

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.46
SOAT1 P35610 10/20 0.39
GPR84 Q9NQS5 7/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8676993 1.00 P4HB (0.46) P4HBSOAT1GPR84ELANECTSG
SCHEMBL8676754 0.83 P4HB (0.46) P4HBSOAT1GPR84ELANECTSG
SCHEMBL8677885 0.83 P4HB (0.46) P4HBSOAT1GPR84ELANECTSG
SCHEMBL2164874 0.79 P4HB (0.45) P4HBSOAT1ELANECTSGTHRB
SCHEMBL7921172 0.78 SOAT1 (0.40) P4HBSOAT1
SCHEMBL7927154 0.77 P4HB (0.39) P4HBSOAT1ELANECTSG
SCHEMBL12402081 0.75 P4HB (0.50) P4HBSOAT1GPR84
SCHEMBL7930675 0.74 SOAT1 (0.37) P4HBSOAT1
SCHEMBL7930645 0.73 CYP19A1 (0.44) GPR84ELANECTSG
SCHEMBL11884526 0.72 KDM4E (0.51) P4HBSOAT1ELANECTSGTHRB

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