SCHEMBL6983148

SCHEMBL6983148

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2A P28223 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6983147 0.90 KMT2A (0.55) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL27964009 0.80 HSD17B10 (0.58) HSD17B10HTR2AMEN1KMT2A
SCHEMBL490906 0.71 HSD17B10 (0.66) HSD17B10HTR2AMEN1KMT2A
SCHEMBL6701768 0.71 POLB (0.50) ALDH1A1KDM4EMEN1KMT2APTGDR2
SCHEMBL4113759 0.71 MAPT (0.61) ALDH1A1KDM4EPTGDR2RAB9A
SCHEMBL10662633 0.70 KMT2A (0.48) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL6203715 0.70 HTR2A (0.63) ALDH1A1HSD17B10HTR2AMEN1KMT2A
SCHEMBL13979934 0.69 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EHSD17B10MEN1
SCHEMBL8532221 0.69 HSD17B10 (0.62) HSD17B10HTR2AMEN1KMT2A
SCHEMBL6703810 0.68 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2APTGDR2

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