SCHEMBL7933658

SCHEMBL7933658

CC1(c2ccccc2)CO[CH]OC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRK1 P41145 1/20 0.37
DRD4 P21917 1/20 0.35
SLC18A3 Q16572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL13471 0.81 KCNH2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11462510 0.77 CHRNB2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8034198 0.74 MMP2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28117469 0.74 CHRNB2 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6439975 0.72 OPRL1 (0.44) OPRM1OPRL1OPRK1ALDH1A1GAA
SCHEMBL6439973 0.72 OPRL1 (0.44) OPRM1OPRL1OPRK1ALDH1A1GAA
SCHEMBL498014 0.72 OPRM1 (0.50) OPRM1OPRL1OPRK1DRD4ALDH1A1
Ammonia Solution, Strong SCHEMBL9556021 0.70 OPRM1 (0.48) OPRM1OPRL1OPRK1DRD4ALDH1A1
SCHEMBL19931803 0.70 OPRM1 (0.50) SLC6A2SLC6A3OPRM1OPRL1OPRK1
SCHEMBL10956561 0.70 TSHR (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed