SCHEMBL9373201

SCHEMBL9373201

CCOCOc1ccc(C(=O)n2cc(CCCC(=O)O)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 1/20 0.47
HTR6 P50406 2/20 0.45
BLM P54132 1/20 0.44
MCL1 Q07820 2/20 0.43
SQSTM1 Q13501 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C4 P17516 1/20 0.41
PTGS1 P23219 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 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
SCHEMBL9374294 0.91 OXER1 (0.51) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9539117 0.84 OXER1 (0.52) OXER1KMT2AMEN1HTR6BLM
SCHEMBL5444461 0.83 OXER1 (0.64) OXER1KMT2AHTR6MCL1KDM4E
SCHEMBL9368601 0.82 OXER1 (0.46) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9538738 0.81 SRD5A1 (0.47) OXER1KMT2AMEN1HTR6
SCHEMBL9154277 0.80 OXER1 (0.55) OXER1KMT2AMEN1HTR6MCL1
SCHEMBL9370683 0.80 OXER1 (0.51) OXER1KMT2AHTR6MCL1AKR1C3
SCHEMBL9538732 0.79 SRD5A2 (0.49) OXER1KMT2AMEN1HTR6MCL1
SCHEMBL9368881 0.79 KMT2A (0.45) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9368604 0.78 OXER1 (0.46) OXER1KMT2AHTR6BLMMCL1

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-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed