SCHEMBL29697105

SCHEMBL29697105

CCC(O)(C(=O)O)c1ccc(N)cc1.CCOC(=O)C(O)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
PPID Q08752 3/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
KIF11 P52732 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 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
SCHEMBL30616864 0.87 MMP8 (0.44) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL982864 0.83 LMNA (0.55) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL28759248 0.82 CYP1A2 (0.43) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL11847693 0.79 LMNA (0.50) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL31079040 0.76 LMNA (0.50) LMNACYP1A2CYP3A4MAOAALDH1A1
SCHEMBL280235 0.74 ALDH1A1 (0.48) LMNAALDH1A1CYP2C9MEN1KMT2A
SCHEMBL6675458 0.73 CES2 (0.56) KDM4EMEN1KMT2AMAPTGRM8
SCHEMBL2484700 0.73 CES2 (0.56) KDM4EMEN1KMT2AMAPTGRM8
SCHEMBL13924144 0.72 SMN1; SMN2 (0.50) LMNAALDH1A1HTTKDM4EMEN1
SCHEMBL13557323 0.70 MEN1 (0.47) LMNACYP1A2ALDH1A1HTTCYP2C9

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
CN-115135628-A Compounds for fast and efficient click release 泰克沃尔科斯制药有限公司 2022-09-30 CN disclosed
CN-114599645-A Reagents for cleaving a label from a biomolecule in vivo 泰克沃尔科斯制药有限公司 2022-06-07 CN disclosed