SCHEMBL28045910

SCHEMBL28045910

CC1OC1(Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
CCR2 P41597 2/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KCNN4 O15554 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL10518769 0.80 KDM1A (0.49) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL27958529 0.72 CHRNB2 (0.34) SLC6A3SLC6A2TSHRMAPK1OPRL1
SCHEMBL14039679 0.71 KDM1A (0.50) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL5698913 0.69 KDM1A (0.51) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL5698966 0.69 KDM1A (0.51) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL10193786 0.68 KDM1A (0.54) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL6956142 0.67 KDM1A (0.45) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL2008502 0.67 KDM1A (0.45) KDM1ACCR2SLC6A4SLC6A3SLC6A2
SCHEMBL62723 0.66 TSHR (0.67) KDM1ATSHRMAPK1IDO1
SCHEMBL4601149 0.65 PNMT (0.55) KDM1ATSHRMAPK1OPRL1OPRM1

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
CN-105085896-A Preparation method for high-molecular surfactant TIANHE CHEMICALS SUZHOU CO LTD 2015-11-25 CN claimed
CN-105085896-A Preparation method for high-molecular surfactant TIANHE CHEMICALS SUZHOU CO LTD 2015-11-25 CN disclosed