SCHEMBL25909671

SCHEMBL25909671

C=C(C)C(=O)CC/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
TNKS O95271 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL3108116 0.82 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL20539357 0.82 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL20539361 0.82 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3108113 0.82 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27997223 0.82 SIGMAR1 (0.46) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL699686 0.79 PAM (0.52) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL8115998 0.79 PAM (0.52) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL7643395 0.79 SIGMAR1 (0.46) PAMHDAC3HDAC4HDAC1HDAC7
Methacrylic Acid SCHEMBL25380299 0.79 PAM (0.47) PAMGLATDP1SIGMAR1MAOB
Methacrylic Acid SCHEMBL27843838 0.79 PAM (0.47) PAMHDAC3HDAC4HDAC1HDAC7

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
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed