SCHEMBL6705060

SCHEMBL6705060

COC1C=CC(Br)(OC)C=C1C(=O)C(Br)CCC1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6702456 0.81 NPC1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6705065 0.68 MMP1 (0.33) L3MBTL1MMP1MMP2MMP3MEN1
SCHEMBL6703008 0.63 ALDH1A1 (0.41) ALDH1A1TDP1MEN1NPC1TSHR
SCHEMBL6705015 0.63 ACHE (0.46) ALDH1A1MMP1MMP2MMP3MEN1
SCHEMBL6698989 0.62 ACHE (0.46) ALDH1A1MEN1TSHRKMT2A
SCHEMBL27598410 0.61 PARP15 (0.40) ALDH1A1MEN1NPC1TSHRRAB9A
SCHEMBL4161910 0.61 METAP1 (0.42) MEN1NPC1TP53TSHRRAB9A
SCHEMBL16933893 0.57 METAP1 (0.45)
SCHEMBL29039482 0.57 LCK (0.39) ALDH1A1TSHR
SCHEMBL29039480 0.57 LCK (0.39) ALDH1A1TSHR

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