SCHEMBL4384558

SCHEMBL4384558

CCC(C)(Br)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ELANE P08246 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
PARP10 Q53GL7 6/20 0.40
PARP15 Q460N3 2/20 0.40
KMT2A Q03164 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
ESRRA P11474 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL1446163 0.88 HPGD (0.56) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1554858 0.87 HPGD (0.44) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1553905 0.81 PARP10 (0.56) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10028740 0.79 HPGD (0.50) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21237992 0.79 HPGD (0.50) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17921591 0.77 PARP10 (0.59) HPGDRAB9AMAPTALDH1A1NPC1
SCHEMBL14750868 0.75 L3MBTL1 (0.58) MAPTALDH1A1TSHR
SCHEMBL5454029 0.75 HPGD (0.46) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10458127 0.74 CES2 (0.59) RAB9AMAPTALDH1A1ELANEPARP10
SCHEMBL1446151 0.74 HPGD (0.54) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1

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-1692088-B1 WHITE SOLID PHOTOINITIATOR IN THE FORM OF POWDER AND PREPARATION THEREOF LAMBERTI SPA (IT) 2009-12-02 EP claimed