SCHEMBL4623022

SCHEMBL4623022

CCOC(=O)[C@H](Cc1c[nH]cn1)N1C(=O)CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NLRP3 Q96P20 5/20 0.33
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4623529 0.95 ALDH1A1 (0.35) TSHRHSD17B10PKMALDH1A1SMN1; SMN2
SCHEMBL4622374 0.89 ALDH1A1 (0.35) PKMALDH1A1NLRP3
SCHEMBL17525712 0.89 ALDH1A1 (0.35) PKMALDH1A1NLRP3
SCHEMBL17525717 0.85 ALDH1A1 (0.48) TSHRPKMALDH1A1POLB
SCHEMBL2443510 0.85 ALDH1A1 (0.48) TSHRPKMALDH1A1POLB
SCHEMBL3085673 0.84 ALDH1A1 (0.36) PKMALDH1A1
SCHEMBL3072474 0.81 ALDH1A1 (0.36) PKMALDH1A1
SCHEMBL3081013 0.81 ALDH1A1 (0.36) PKMALDH1A1
SCHEMBL3085221 0.81 ALDH1A1 (0.52) TSHRPKMALDH1A1POLB
SCHEMBL17525724 0.77 HIF1A (0.47) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940780-B2 N-acylic aminoacid derivatives, method for the production thereof, pharmacological composition and the use in the form anti-allergic, anti-inflammatory and hypolipidemic agents OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2015-01-27 US claimed
EP-1905763-B1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS NEBOLSIN VLADIMIR EVGENIEVICH (RU) 2019-05-08 EP disclosed
EP-1905763-A1 N-ACYLIC AMINOACID DERIVATIVES. METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2008-04-02 EP disclosed