SCHEMBL8904016

SCHEMBL8904016

CCCC[C@H]1CC[C@H](C(=O)Oc2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL8904019 1.00 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1MGLL
SCHEMBL7887235 0.93 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1MGLL
SCHEMBL7887233 0.93 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1MGLL
SCHEMBL14401435 0.88 HTT (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL8218420 0.88 SMN1; SMN2 (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL7913960 0.88 HTT (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL10098292 0.88 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL9352815 0.88 SMN1; SMN2 (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL7913964 0.88 HTT (0.49) KMT2AHTTSMN1; SMN2TDP1GAA
SCHEMBL13135346 0.87 HTT (0.58) KMT2AHTTSMN1; SMN2TDP1GAA

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-5656198-A DISPLAY DEVICE CITIZEN WATCH CO., LTD. (JP) 1997-08-12 US disclosed