SCHEMBL8945545

SCHEMBL8945545

CCOC(=O)c1cccc(OCCCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.49
SMPD1 P17405 3/20 0.49

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
SCHEMBL9937950 0.93 L3MBTL1 (0.60) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL5221473 0.88 TDP1 (0.66) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL12255182 0.87 SMPD1 (0.64) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL2473808 0.87 L3MBTL1 (0.60) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL931897 0.87 KMT2A (0.69) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL15767005 0.87 SMPD1 (0.61) KMT2ANPC1RAB9ASMPD1
SCHEMBL27914875 0.86 KMT2A (0.57) KMT2AMEN1SMN1; SMN2ADRB2ADRB1
SCHEMBL2930796 0.86 TDP1 (0.59) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL22438949 0.86 SMPD1 (0.67) L3MBTL1TDP1KMT2AMEN1POLB
SCHEMBL15766529 0.86 SMPD1 (0.67) L3MBTL1TDP1KMT2AMEN1POLB

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
US-5510375-A VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed