SCHEMBL6983147

SCHEMBL6983147

COc1ccc(CC(Br)C(=O)C2CCCCC2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 3/20 0.55
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DPP7 Q9UHL4 1/20 0.41
F2 P00734 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
SCHEMBL6983148 0.90 ALDH1A1 (0.47) KMT2AMEN1TSHRALDH1A1RAB9A
SCHEMBL30261137 0.76 ALDH1A1 (0.59) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL3992320 0.74 KMT2A (0.56) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL3993901 0.72 KMT2A (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL490752 0.71 LDHA (0.57) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL6984542 0.71 KMT2A (0.65) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL6699183 0.71 PARP15 (0.54) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL23961118 0.69 TSHR (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL25566925 0.69 TSHR (0.53) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL27964009 0.69 HSD17B10 (0.58) KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed