SCHEMBL9203553

SCHEMBL9203553

CC(C)(C)c1ccccc1Sc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.42
PTGS2 P35354 3/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PDE7A Q13946 2/20 0.37
MAPK1 P28482 2/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL6364715 0.78 TDP1 (0.48) MAPK1CA2ALDH1A1TSHRTDP1
SCHEMBL24828159 0.72 PTGS1 (0.50) FBP1PTGS2ALOX5PTGS1CA2
SCHEMBL9724130 0.72 PDE7A (0.54) FBP1PDE7AALDH1A1TSHRTDP1
SCHEMBL9018798 0.71 HAO1 (0.44) FBP1MAPK1CA2ALDH1A1HSD17B10
SCHEMBL7926405 0.71 ALDH1A1 (0.41) MAPK1CA2ALDH1A1TSHRTDP1
SCHEMBL2432241 0.71 FBP1 (0.68) FBP1PTGS2PDE7AALDH1A1TSHR
SCHEMBL943247 0.69 TDP1 (0.48) CA2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL9086463 0.69 FBP1 (0.43) FBP1MAPK1ALDH1A1TSHRNPC1
SCHEMBL27274014 0.69 FBP1 (0.39) FBP1PDE7AMAPK1CA2ALDH1A1
SCHEMBL28530136 0.68 FBP1 (0.42) FBP1PTGS2PDE7AGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed