SCHEMBL9304224

SCHEMBL9304224

CCOC(=O)c1ccc(Br)c(OCC)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.49
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 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
SCHEMBL17559391 0.89 KMT2A (0.44) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL587574 0.88 KMT2A (0.44) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL7559624 0.87 MAPT (0.51) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL18468249 0.87 MEN1 (0.52) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL8526820 0.87 KMT2A (0.44) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL28126645 0.86 TSHR (0.55) MAPTMEN1KMT2ATSHRCA12
SCHEMBL8529751 0.85 HSD17B10 (0.50) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL18468247 0.83 TSHR (0.55) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL20505300 0.83 TSHR (0.47) MAPTMEN1KMT2ANPSR1TSHR
SCHEMBL6160953 0.81 TSHR (0.53) MAPTMEN1KMT2ANPSR1TSHR

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-5329041-A For herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-12 US disclosed
WO-1992012957-A1 TRISUBSTITUTED BENZOIC ACID INTERMEDIATES NGUYEN NHAN H (US) 1992-08-06 WO disclosed