SCHEMBL9705237

SCHEMBL9705237

CCN(CC)CCOCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KEAP1 Q14145 1/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL20462988 0.91 TDP1 (0.41) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL9705617 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL11742413 0.87 MEN1 (0.43) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL9543324 0.84 HRH3 (0.45) ALDH1A1HRH3KDM4ESMN1; SMN2HTT
SCHEMBL11742421 0.83 KDM4E (0.34) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL1132784 0.82 TSHR (0.46) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL1032529 0.82 KEAP1 (0.50) ALDH1A1MAPK1HRH3CYP1A2CHRM2
SCHEMBL10401216 0.81 ALDH1A1 (0.43) TSHRALDH1A1MAPK1HRH3CYP1A2
SCHEMBL111438 0.81 TSHR (0.58) TSHRALDH1A1MAPK1HRH3CYP1A2
Iodomethane SCHEMBL5276176 0.81 HRH3 (0.43) ALDH1A1HRH3KDM4ESMN1; SMN2HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214852-B1 PERFLUOROAMINOETHERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-28 EP disclosed
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 US disclosed