SCHEMBL22982168

SCHEMBL22982168

O=C(CCS)OCc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TDP1 Q9NUW8 6/20 0.48
MAPK1 P28482 2/20 0.48
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
POLB P06746 8/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
ESR1 P03372 3/20 0.41
APEX1 P27695 2/20 0.41
GAA P10253 2/20 0.40
RECQL P46063 3/20 0.40

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
SCHEMBL14655670 0.90 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL11002356 0.90 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL4624403 0.86 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL10998807 0.86 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL8965092 0.86 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL11001635 0.85 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL11002116 0.85 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL11000864 0.85 ALDH1A1 (0.62) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL27865079 0.84 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1EGFRERBB2
SCHEMBL1532561 0.83 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1EGFRERBB2

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-20220251342-A1 RESIN COMPOSITION, FILAMENTOUS MATERIAL, THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT, AND METHOD FOR PRODUCING THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT Konica Minolta, Inc. (JP) 2022-08-11 US disclosed
EP-4011982-A1 RESIN COMPOSITION, FILAMENTOUS MATERIAL, THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT, AND METHOD FOR PRODUCING THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT KONICA MINOLTA, INC. (JP) 2022-06-15 EP disclosed
WO-2021029311-A1 RESIN COMPOSITION, FILAMENTOUS MATERIAL, THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT, AND METHOD FOR PRODUCING THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT コニカミノルタ株式会社 2021-02-18 WO disclosed