SCHEMBL28644142

SCHEMBL28644142

CCCCCCCCC1(CCCCCCCC)C=Cc2ccccc2N1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.38
P2RX1 P51575 2/20 0.38
P2RX3 P56373 2/20 0.38
USP2 O75604 1/20 0.38
CDC25A P30304 10/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
PTBP1 P26599 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 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
SCHEMBL29007240 0.72 SMN1; SMN2 (0.41) P2RX4P2RX1P2RX3USP2CDC25A
SCHEMBL27473378 0.68 BCHE (0.49) P2RX4P2RX1P2RX3PTBP1SMN1; SMN2
SCHEMBL4097478 0.64 MAPT (0.37) P2RX4P2RX1P2RX3PTBP1SMN1; SMN2
SCHEMBL6760414 0.63 KDM4E (0.37) USP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5323524 0.62 CES1 (0.53) CDC25AOPRM1CES1MEN1KMT2A
Phthalic Acid SCHEMBL167309 0.62 ALDH1A1 (0.64) CES2CES1MEN1KMT2A
Phthalic Acid SCHEMBL28300242 0.62 ALDH1A1 (0.64) CES2CES1MEN1KMT2A
Phthalic Acid SCHEMBL29793929 0.62 ALDH1A1 (0.64) CES2CES1MEN1KMT2A
Phthalic Acid SCHEMBL28653607 0.62 ALDH1A1 (0.64) CES2CES1MEN1KMT2A
Phthalic Acid SCHEMBL27476448 0.62 ALDH1A1 (0.64) CES2CES1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637148-B Degradable copolyester based on triethylene glycol, preparation and application 武汉科技大学 2022-11-01 CN disclosed
CN-113637148-B Degradable copolyester based on triethylene glycol, preparation and application 武汉科技大学 2022-11-01 CN disclosed
CN-113637148-A Degradable copolyester based on triethylene glycol, preparation and application 武汉科技大学 2021-11-12 CN disclosed
CN-113637148-A Degradable copolyester based on triethylene glycol, preparation and application 武汉科技大学 2021-11-12 CN disclosed