SCHEMBL8565755

SCHEMBL8565755

COCCCN.COCCCNC(C(=O)O)c1cc(C)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 9/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34

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 0.86 KDM4E (0.39) KDM4EUSP2ALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL1775375 0.83 CHRM2 (0.39) ALDH1A1HTTMAPTSMN1; SMN2KMT2A
SCHEMBL545265 0.81 CSNK2A1 (0.43) KDM4EALDH1A1HTTMAPTNPC1
SCHEMBL8565757 0.78 ALDH1A1 (0.35) KDM4EUSP2ALDH1A1HTTMAPT
SCHEMBL19050623 0.78 CHRM2 (0.40) KDM4EALDH1A1HTTMAPTNPC1
SCHEMBL19050643 0.74 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1HTTMAPT
SCHEMBL19050616 0.73 GAA (0.41) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL19050698 0.73 GAA (0.40) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL19050808 0.73 SMN1; SMN2 (0.40) KDM4EUSP2ALDH1A1HTTMAPT
Hydrochloric Acid SCHEMBL1774596 0.73 TRPA1 (0.42) KDM4EALDH1A1HTTMAPTNPC1

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