SCHEMBL22443353

SCHEMBL22443353

c1ncnc(CC2CCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL30578309 0.83 POLB (0.46) ALDH1A1TSHRSMN1; SMN2NR2F2RAB9A
SCHEMBL3771334 0.80 TDP1 (0.33) ALDH1A1TSHRSMN1; SMN2TDP1CYP3A4
SCHEMBL28066962 0.74 PDE8B (0.40) ALDH1A1HTTMEN1KMT2ATDP1
SCHEMBL3818983 0.70 TNK2 (0.40) ALDH1A1TSHRSMN1; SMN2RAB9AHTT
SCHEMBL7538469 0.70 HPGD (0.38) ALDH1A1SMN1; SMN2RAB9AHTTTDP1
SCHEMBL28066954 0.69 ADORA2A (0.39) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL28066916 0.69 PDE8B (0.39) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL1456687 0.68 HTR2A (0.38) ALDH1A1TSHRSMN1; SMN2RAB9AMEN1
SCHEMBL2752484 0.67 POLB (0.51) ALDH1A1TSHRSMN1; SMN2HTTLMNA
SCHEMBL1456197 0.67 ALOX15 (0.40) ALDH1A1TSHRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677207-B New use and composition of mutant lactonase 地中海感染基金会 2023-10-13 CN claimed
EP-3941206-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS Fondation Méditerranée Infection (FR) 2022-01-26 EP claimed
CN-113677207-A Novel use and composition of mutant lactonase 地中海感染基金会 2021-11-19 CN claimed
WO-2020187861-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS FONDATION MEDITERRANEE INFECTION (FR) 2020-09-24 WO claimed
CN-113677207-B New use and composition of mutant lactonase 地中海感染基金会 2023-10-13 CN disclosed
EP-3941206-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS Fondation Méditerranée Infection (FR) 2022-01-26 EP disclosed
CN-113677207-A Novel use and composition of mutant lactonase 地中海感染基金会 2021-11-19 CN disclosed
WO-2020187861-A1 NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS FONDATION MEDITERRANEE INFECTION (FR) 2020-09-24 WO disclosed