SCHEMBL31620940

SCHEMBL31620940

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2C(=O)C=Cc1ccc(OC)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.48
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ APP P05067 1/20 0.43
▸ CALM1 P0DP23 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL31620924 0.94 TRPV1 (0.49) HDAC1HDAC6MAPTAPPEPHX2
SCHEMBL31620938 0.91 EPHX2 (0.44) P4HBHDAC1HDAC6MAPTAPP
SCHEMBL31620910 0.88 ALDH1A1 (0.50) HDAC1HDAC6MAPTTUBB4ATUBB
SCHEMBL31620896 0.88 GPR183 (0.53) HDAC1HDAC6MAPTAPPALDH1A1
SCHEMBL31620888 0.88 GPR183 (0.53) HDAC1HDAC6MAPTAPPALDH1A1
SCHEMBL31620932 0.81 ALDH1A1 (0.51) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL31620905 0.79 HDAC1 (0.53) HDAC1HDAC6MAPTCYP1A2KMT2A
SCHEMBL31620902 0.79 P4HB (0.50) P4HBMAPTAPPCALM1TUBB4A
SCHEMBL31620933 0.78 ALDH1A1 (0.52) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL31620871 0.78 ALDH1A1 (0.52) MAPTKMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136796-A Alpha, beta unsaturated ketone derivative and preparation method and application thereof 河南大学 2025-06-13 — — CN disclosed
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