SCHEMBL793320

SCHEMBL793320

CCCCC(CC)COc1c(OCC(CC)CCCC)c2ccsc2c2sccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 5/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 4/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL1689948 0.94 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL29444001 0.88 PRSS1 (0.36) LMNAPRSS1PRSS2PRSS3
SCHEMBL1498345 0.86 TSHR (0.37) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL12667477 0.84 PRSS1 (0.35) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL12999446 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL30732342 0.82 PRSS1 (0.36) ALDH1A1LMNAL3MBTL1PRSS1PRSS2
SCHEMBL861880 0.82 PRSS1 (0.36) ALDH1A1LMNAL3MBTL1PRSS1PRSS2
SCHEMBL10062440 0.82 ALDH1A1 (0.33) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL13732059 0.82 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL10062441 0.81 TSHR (0.34) ALDH1A1CYP3A4CA2LMNAHSD17B10

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
EP-2435500-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2019-10-30 EP disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 US disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 US disclosed