SCHEMBL6282836

SCHEMBL6282836

O=C(O)C(Br)Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
POLB P06746 4/20 0.44
PKM P14618 2/20 0.44
ESR2 Q92731 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX5 P09917 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL11232248 0.82 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL16683909 0.78 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL27465321 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL1169120 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL180118 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL762539 0.78 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL16683911 0.78 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL599915 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL1663153 0.78 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1POLBPKM
SCHEMBL28114623 0.76 KMT2A (0.52) SLC1A3SLC1A2SLC1A1POLBPKM

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
US-6933361-B2 Thermally re-mendable cross-linked polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-23 US disclosed
US-20040014933-A1 Thermally re-mendable cross-linked polymers NATIONAL SCIENCE FOUNDATION 2004-01-22 US disclosed