SCHEMBL20144634

SCHEMBL20144634

CC(C)(CC(C)(C)C(=O)NCCN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.33
RIPK1 Q13546 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
POLB P06746 1/20 0.31
PAOX Q6QHF9 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL20144622 0.82 KDM4C (0.48) RIPK1KDM4CPOLBPAOXALDH1A1
SCHEMBL20813616 0.81 DGAT1 (0.31)
SCHEMBL18461405 0.81 RIPK1 (0.32) RIPK1KDM4CPOLB
SCHEMBL14684132 0.79 ALDH1A1 (0.34) RIPK1TACR1TACR3POLBPAOX
SCHEMBL21696330 0.79 EPHX1 (0.46) KDM4CALOX15TSHR
SCHEMBL21696331 0.78 RAB9A (0.38) ACACBACACAHPGDCYP2C19HSD17B10
SCHEMBL24484549 0.78 RIPK1 (0.38) RIPK1KDM4CACACBACACAALDH1A1
SCHEMBL9499386 0.78 CNR1 (0.34) RIPK1TACR1TACR3POLBPAOX
SCHEMBL10297996 0.78 RIPK1 (0.46) RIPK1POLBPAOXALDH1A1CYP2C9
SCHEMBL17722343 0.77 ALDH1A1 (0.31) ALDH1A1CYP2C9HPGDALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed
EP-3321279-A1 EXENATIDE MODIFIER AND USE THEREOF Bright Gene Bio-Medical Technology Co., Ltd. (CN) 2018-05-16 EP disclosed