SCHEMBL20415656

SCHEMBL20415656

CC1(C)[C@H](C(=O)NCC(=O)O)CC[C@@]1(C)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
MME P08473 1/20 0.38
BBOX1 O75936 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33

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
SCHEMBL7102263 0.89 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL7102260 0.89 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL20415652 0.85 ALDH1A1 (0.46) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL7098634 0.77 ALDH1A1 (0.43) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL7098636 0.77 ALDH1A1 (0.43) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL14400521 0.74 ALDH1A1 (0.62) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL12066150 0.74 ALDH1A1 (0.62) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL28350945 0.70 ALDH1A1 (0.49) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL28350943 0.70 ALDH1A1 (0.49) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL20415657 0.68 MME (0.47) ALDH1A1POLBLMNATSHRCYP2C19

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-2018134836-A1 A NOVEL, FEASIBLE AND COST EFFECTIVE PROCESS FOR THE MANUFACTURE OF D – PENICILLAMINE SYNVEN SHREE LIFE SCIENCES PVT. LTD. (IN) 2018-07-26 WO disclosed