SCHEMBL10837232

SCHEMBL10837232

CCCCC(C)OC(=O)N(Br)Br

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.39
CA2 P00918 3/20 0.36
CA1 P00915 3/20 0.36
LMNA P02545 2/20 0.36
NAAA Q02083 1/20 0.35
EPHX2 P34913 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34

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
SCHEMBL10839825 0.94 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL10836646 0.93 FAAH (0.57) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL6463768 0.88 FAAH (0.39) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL10839659 0.81 FAAH (0.47) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL30889137 0.78 FAAH (0.51) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL502266 0.77 FAAH (0.50) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL23748432 0.76 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL10837732 0.76 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL181003 0.75 FAAH (0.53) FAAHCNR1CNR2ALDH1A1CA2
SCHEMBL502267 0.75 FAAH (0.49) FAAHCNR1CNR2ALDH1A1CA2

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-4591618-A HIGH STRENGTH BONDING AGENTS BRIDGESTONE TIRE CO., LTD. (JP) 1986-05-27 US disclosed
US-4117036-A ANAEROBIC CURABILITY, SEALANTS BRIDGESTONE TIRE COMPANY LIMITED (JP) 1978-09-26 US disclosed