SCHEMBL21675619

SCHEMBL21675619

CC(C)COC(=O)N1CCCC(C(=O)C(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
DGAT2 Q96PD7 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
HSD11B1 P28845 1/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 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
SCHEMBL21675613 0.87 RAB9A (0.50) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL793727 0.82 RAB9A (0.51) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL24131317 0.81 RAB9A (0.52) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL6420173 0.81 RAB9A (0.52) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL17941270 0.79 RAB9A (0.43) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL6238126 0.79 RAB9A (0.48) RAB9ADGAT2ALDH1A1KMT2AHPGD
SCHEMBL15113890 0.78 ALDH1A1 (0.60) RAB9AALDH1A1KMT2AHPGDMEN1
SCHEMBL12158549 0.78 ALDH1A1 (0.60) RAB9AALDH1A1KMT2AHPGDMEN1
SCHEMBL4066696 0.78 RAB9A (0.50) RAB9ADGAT2KMT2AHPGDMEN1
SCHEMBL14011496 0.78 RAB9A (0.50) RAB9ADGAT2ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed