SCHEMBL8565757

SCHEMBL8565757

COCCC(N)C(CCNC(C(=O)O)c1cc(C)ccc1O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
HRH1 P35367 2/20 0.34
USP2 O75604 1/20 0.34
ADRB2 P07550 1/20 0.34
CX3CR1 P49238 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KCNMA1 Q12791 1/20 0.32
HTT P42858 2/20 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
SCHEMBL22589399 0.80 KDM4E (0.39) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL8565755 0.78 KDM4E (0.41) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL545265 0.78 CSNK2A1 (0.43) ALDH1A1MAPTKMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL1775375 0.75 CHRM2 (0.39) ALDH1A1MAPTKMT2AGAACHRM2
SCHEMBL19050623 0.74 CHRM2 (0.40) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL19050616 0.70 GAA (0.41) ALDH1A1MAPTKMT2AGAACHRM2
SCHEMBL19050808 0.70 SMN1; SMN2 (0.40) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL19050698 0.70 GAA (0.40) ALDH1A1MAPTKMT2AGAACHRM2
SCHEMBL19050694 0.69 CHRM2 (0.37) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL14015976 0.69 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5271863-A Compositions for extracting iron species from liquid hydrocarbon systems BETZ LABORATORIES, INC. (US) 1993-12-21 US claimed
EP-0735126-B1 Abatement of hydrolyzable cations in crude oil NALCO EXXON ENERGY CHEM LP (US) 1999-08-25 EP disclosed
US-5660717-A TREATING CRUDE OIL WITH SULFOMETHYLATED POLYACRYLAMIDE OR POLYACRYLIC ACID TREATED WITH AMINOMETHANE PHOSPHONIC ACID NALCO/EXXON ENERGY CHEMICALS, L. P. (US) 1997-08-26 US disclosed
EP-0735126-A2 Abatement of hydrolyzable cations in crude oil NALCO CHEMICAL COMPANY (US) 1996-10-02 EP disclosed
US-5271863-A Compositions for extracting iron species from liquid hydrocarbon systems BETZ LABORATORIES, INC. (US) 1993-12-21 US disclosed