SCHEMBL20439449

SCHEMBL20439449

COc1ccc(C(=O)COc2cc(OCc3ccccc3)ccc2Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 8/20 0.48
PPARD Q03181 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PTPN1 P18031 1/20 0.46
ACHE P22303 2/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL20439321 0.85 LMNA (0.57) NPC1RAB9ASMN1; SMN2FFAR1L3MBTL1
SCHEMBL18044481 0.77 MAOB (0.58) HPGDSMN1; SMN2FFAR1PPARDL3MBTL1
SCHEMBL31725937 0.77 MAOB (0.58) SMN1; SMN2L3MBTL1PTPN1
SCHEMBL6119729 0.77 MAOB (0.58) SMN1; SMN2L3MBTL1PTPN1
SCHEMBL20439378 0.76 KMT2A (0.40) SMN1; SMN2FFAR1PPARDL3MBTL1
SCHEMBL20439423 0.75 LMNA (0.56) NPC1RAB9ASMN1; SMN2FFAR1PPARD
SCHEMBL20425127 0.74 ERN1 (0.41) HPGDSMN1; SMN2FFAR1PPARDPTPN1
SCHEMBL4364373 0.74 NR4A2 (0.55) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL9811686 0.74 SMN1; SMN2 (0.60) NPC1HPGDRAB9ASMN1; SMN2FFAR1
SCHEMBL1515704 0.73 HTT (0.62) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1

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
WO-2018138739-A1 NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2018-08-02 WO disclosed