SCHEMBL6701768

SCHEMBL6701768

COc1ccc(OC)c(C(=O)C(Br)CC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
FPR1 P21462 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6699183 0.90 PARP15 (0.54) POLBNPC1RAB9AMAPTALDH1A1
SCHEMBL6704355 0.81 ACHE (0.44) POLBNPC1RAB9AMAPTHTT
SCHEMBL6703810 0.81 MAPT (0.48) POLBRAB9AMAPTHTTNPSR1
SCHEMBL1303034 0.81 POLB (0.50) POLBNPC1RAB9AMAPTHTT
SCHEMBL3362134 0.75 MAPT (0.60) POLBNPC1RAB9AMAPTHTT
SCHEMBL5748247 0.74 MAPT (0.58) POLBRAB9AMAPTHTTNPSR1
SCHEMBL4113759 0.73 MAPT (0.61) RAB9AMAPTHTTNPSR1ALDH1A1
SCHEMBL6477179 0.73 METAP2 (0.60) POLBNPC1RAB9A
SCHEMBL13761323 0.71 MAPT (0.62) POLBRAB9AMAPTHTTNPSR1
SCHEMBL6983148 0.71 ALDH1A1 (0.47) RAB9AALDH1A1PTGDR2MEN1KMT2A

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-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed