SCHEMBL21162763

SCHEMBL21162763

CCOC(C)(C)c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 4/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ PLK1 P53350 1/20 0.40
▸ MET P08581 1/20 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
SCHEMBL21947659 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL21163038 0.82 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL10285521 0.81 ALDH1A1 (0.51) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL264293 0.80 ALDH1A1 (0.58) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL18910572 0.78 CYP2A6 (0.42) KDM4ECYP1A2CYP3A4
SCHEMBL11013012 0.77 MAOB (0.47) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL1329887 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL20991097 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL28563865 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL28359467 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9APOLBMAPT

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
US-11035051-B2 Acidic aqueous composition for electrolytic copper plating ATOTECH DEUTSCHLAND GMBH (DE) 2021-06-15 — — US disclosed
US-20190203369-A1 ACIDIC AQUEOUS COMPOSITION FOR ELECTROLYTIC COPPER PLATING ATOTECH DEUTSCHLAND GMBH (DE) 2019-07-04 — — US disclosed
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