SCHEMBL6440247

SCHEMBL6440247

COc1ccc(C(=O)c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
KMT2A Q03164 5/20 0.50
GCGR P47871 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 5/20 0.48
MTNR1A P48039 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6437739 0.94 NPC1 (0.57) NPC1KMT2ASMN1; SMN2NPSR1TP53
SCHEMBL6457317 0.86 CYP11B1 (0.47) NPC1KMT2AGCGRSMN1; SMN2NPSR1
SCHEMBL40667 0.85 KMT2A (0.41) NPC1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL6302225 0.82 NPC1 (0.55) NPC1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL10534461 0.81 KDM4E (0.54) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL8598610 0.81 KMT2A (0.57) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL16241350 0.81 NPC1 (0.53) NPC1KMT2ASMN1; SMN2NPSR1TP53
SCHEMBL10537208 0.81 HPGD (0.47) KMT2AGCGRMAPTALDH1A1HPGD
SCHEMBL9856912 0.80 GCGR (0.67) NPC1KMT2AGCGRSMN1; SMN2NPSR1
SCHEMBL16919764 0.80 NPC1 (0.50) NPC1KMT2ASMN1; SMN2NPSR1TP53

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-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP disclosed