SCHEMBL28600328

SCHEMBL28600328

COC(=O)C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.49
TRPA1 O75762 3/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MMP1 P03956 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL3518534 0.84 CYP2C9 (0.51) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL14346648 0.84 TSHR (0.59) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL3783064 0.81 CYP2C9 (0.47) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL28695277 0.80 LMNA (0.53) CYP2C9CYP2C19HSD17B10TRPA1MAPT
SCHEMBL28695278 0.80 LMNA (0.53) CYP2C9CYP2C19HSD17B10TRPA1MAPT
SCHEMBL11565004 0.78 HSD17B10 (0.45) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL11565596 0.78 CYP2C9 (0.45) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL878614 0.77 TSHR (0.46) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL11565126 0.74 UTS2R (0.45) CYP2C9CYP2C19HSD17B10MAPTHTT
SCHEMBL1679062 0.73 L3MBTL1 (0.54) HPGDSLC6A2SLC6A4SLC6A3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113260516-A Thermosensitive recording medium 株式会社理光 2021-08-13 CN disclosed