SCHEMBL24465735

SCHEMBL24465735

CC(C)CCC(C)OC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.37
CA1 P00915 2/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TSHR P16473 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
BLM P54132 2/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL22127608 0.82 GABRR1 (0.46) FAAHCNR1CNR2MMP1MMP2
SCHEMBL7360956 0.81
SCHEMBL14991062 0.80 CA1 (0.39) FAAHCA1CNR1CNR2SLC1A3
SCHEMBL6665926 0.80 CYP19A1 (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL14590461 0.78 TSHR (0.52) FAAHCA1CNR1CNR2SLC1A3
SCHEMBL11391992 0.77 CHRNB2 (0.34) FAAH
SCHEMBL11662694 0.77 FAAH (0.50) FAAHCA1CNR1CNR2LMNA
SCHEMBL10608689 0.76 FAAH (0.57) FAAHCA1CNR1CNR2LMNA
SCHEMBL8880146 0.76 CTSK (0.38) CA1MMP1MMP2MMP3MMP9
SCHEMBL22127579 0.76 CA2 (0.47) FAAHCA1CNR1CNR2MMP1

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
EP-3681884-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2022-06-01 EP disclosed