SCHEMBL31173097

SCHEMBL31173097

C#Cc1ccccc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NISCH Q9Y2I1 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34

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
SCHEMBL544279 1.00 IRAK4 (0.43) IRAK4ALDH1A1ACHENISCHADRA2A
SCHEMBL1465246 0.79 IRAK4 (0.47) IRAK4ALDH1A1ACHENISCHADRA2A
SCHEMBL18297671 0.79 DRD1 (0.39) ALDH1A1KDM4EPOLBKMT2ASLC6A2
SCHEMBL31543913 0.79 DRD1 (0.39) ALDH1A1KDM4EPOLBKMT2ASLC6A2
SCHEMBL1871847 0.79 GAA (0.50) IRAK4ALDH1A1ACHEADRA2AADRA2B
SCHEMBL29530994 0.79 GAA (0.50) IRAK4ALDH1A1ACHEADRA2AADRA2B
Hydrochloric Acid SCHEMBL13857740 0.78 GAA (0.49) IRAK4ALDH1A1ACHEADRA2AADRA2B
SCHEMBL28867025 0.77 KCNH2 (0.36) IRAK4ALDH1A1MAPTMEN1KMT2A
SCHEMBL7944121 0.77 MAOB (0.31) ALDH1A1
SCHEMBL3256317 0.77 MAOB (0.34) ADRA2AADRA2BADRA2CCYP1A2KDM4E

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
EP-4676600-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF Deliver Therapeutics, Inc. (US) 2026-01-14 — — EP disclosed
WO-2024186579-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF DELIVER THERAPEUTICS, INC. (US) 2024-09-12 — — WO disclosed
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