SCHEMBL21368544

SCHEMBL21368544

O=C(O)CCSSCCC(=O)Oc1ccc(-c2ccc(OC(=O)CCSSCCC(=O)Oc3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
FFAR1 O14842 5/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 1/20 0.42
ASAH1 Q13510 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 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
SCHEMBL21367567 0.93 ALDH1A1 (0.49) ALDH1A1MAPTFFAR1KMT2ALMNA
SCHEMBL21352276 0.90 ALDH1A1 (0.51) ALDH1A1MAPTFFAR1KMT2ALMNA
SCHEMBL11120105 0.85 CYP2C19 (0.53) ALDH1A1MAPTFFAR1KMT2ALMNA
SCHEMBL21367568 0.82 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL10568529 0.79 PRSS1 (0.49) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL2058361 0.79 ALDH1A1 (0.55) ALDH1A1MAPTFFAR1KMT2ALMNA
SCHEMBL11086910 0.78 PRSS1 (0.47) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL14984015 0.78 EGFR (0.54) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL5673051 0.77 ALDH1A1 (0.53) ALDH1A1MAPTFFAR1KMT2ALMNA
SCHEMBL11615414 0.77 PRSS1 (0.59) ALDH1A1MAPTKMT2ALMNAHTT

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
EP-3539794-A1 PHENOLIC RESIN COMPOSITION AND THE USE THEREOF IN A RUBBER COMPOSITION TO REDUCE HYSTERESIS SI Group, Inc. (US) 2019-09-18 EP disclosed