SCHEMBL8038475

SCHEMBL8038475

CCN(CCC(=O)OCCOC(=O)CCl)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.46
▸ ALDH1A1 P00352 8/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ GPX4 P36969 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 7/20 0.42
▸ LMNA P02545 4/20 0.42
▸ USP2 O75604 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL8055680 0.91 GFER (0.44) GFERALDH1A1NPC1RAB9APAX8
SCHEMBL8048316 0.89 MAPT (0.47) GFERALDH1A1NPC1RAB9APAX8
SCHEMBL8048343 0.89 GFER (0.44) GFERALDH1A1TP53KMT2AMEN1
SCHEMBL11506912 0.87 SMN1; SMN2 (0.50) GFERALDH1A1NPC1RAB9APAX8
SCHEMBL11745632 0.86 GFER (0.44) GFERALDH1A1NPC1RAB9APAX8
SCHEMBL11596266 0.82 GFER (0.41) GFERALDH1A1TP53KMT2AMEN1
SCHEMBL11417448 0.82 GFER (0.51) GFERALDH1A1TP53KMT2AMEN1
SCHEMBL9654341 0.82 SMN1; SMN2 (0.52) GFERALDH1A1NPC1RAB9APAX8
SCHEMBL8038156 0.81 GFER (0.47) GFERALDH1A1TP53KMT2AMEN1
SCHEMBL28665502 0.81 GFER (0.47) GFERALDH1A1NPC1RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876429-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AG (DE) 2000-05-03 — — EP disclosed
US-5998592-A Monoazo dyes containing a fluorosulphonyl group and use thereof BASF AKTIENGESELLSCHAFT (DE) 1999-12-07 — — US disclosed
EP-0876429-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 — — EP disclosed
WO-1997027247-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 — — WO disclosed
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