SCHEMBL8399342

SCHEMBL8399342

CCC(OC(CC)(c1ccccc1)C1CO1)(c1ccccc1)C1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.34
KCNN4 O15554 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
CHRM3 P20309 2/20 0.31
HRH1 P35367 2/20 0.31
MLNR O43193 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL7772962 0.86 MEN1 (0.38) MEN1KMT2ATDP1KCNN4TSHR
SCHEMBL7218075 0.83 MEN1 (0.36) MEN1KMT2ATDP1SLC6A2CHRM3
SCHEMBL332883 0.83 MEN1 (0.36) MEN1KMT2ATDP1SLC6A2CHRM3
SCHEMBL332937 0.82 MEN1 (0.35) MEN1KMT2ASLC6A2CHRM3CHRM2
SCHEMBL2037524 0.81 MEN1 (0.37) MEN1KMT2ATDP1SLC6A2CHRM3
SCHEMBL333657 0.81 MEN1 (0.36) MEN1KMT2ATDP1ALDH1A1CHRM3
SCHEMBL7774989 0.81 MEN1 (0.36) MEN1KMT2ATDP1ALDH1A1CHRM3
SCHEMBL333446 0.81 MEN1 (0.36) MEN1KMT2ATDP1ALDH1A1CHRM3
SCHEMBL7768965 0.81 MEN1 (0.36) MEN1KMT2ATDP1ALDH1A1CHRM3
SCHEMBL333442 0.81 MEN1 (0.36) MEN1KMT2ATDP1ALDH1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5928393-A ESTERIFIED, ALKOXYLATED TERTIARY AMINE COMPOUND; DETERGENT ANTISLUDGE/ANTIDEPOSIT AGENT FOR INTERNAL COMBUSTION ENGINES NIPPON OIL CO., LTD. (JP) 1999-07-27 US disclosed
EP-0819753-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1998-01-21 EP disclosed
EP-0324569-A2 Process for preparing functionalized polymeric compositions ROHM AND HAAS COMPANY (US) 1989-07-19 EP disclosed