SCHEMBL387249

SCHEMBL387249

O=C(O)CC=Cc1ccccc1.[Zn]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.96
MAOB P27338 4/20 0.59
HDAC1 Q13547 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
CYP2D6 P10635 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
TNKS O95271 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
PLIN1 O60240 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL156767 0.98 PAM (1.00) PAMMAOBHDAC1ALDH1A1HDAC3
SCHEMBL2148302 0.98 PAM (1.00) PAMMAOBHDAC1ALDH1A1HDAC3
SCHEMBL582727 0.98 PAM (1.00) PAMMAOBHDAC1ALDH1A1HDAC3
Ammonia Solution, Strong SCHEMBL6327618 0.96 PAM (0.96) PAMMAOBHDAC1ALDH1A1HDAC3
Hydrochloric Acid SCHEMBL28759894 0.96 PAM (0.96) PAMMAOBHDAC1ALDH1A1HDAC3
Ammonia Solution, Strong SCHEMBL6327623 0.96 PAM (0.96) PAMMAOBHDAC1ALDH1A1HDAC3
Hydrazine SCHEMBL29236551 0.94 PAM (0.92) PAMMAOBHDAC1ALDH1A1HDAC3
Hydroxyamine SCHEMBL30636634 0.94 PAM (0.92) PAMMAOBHDAC1ALDH1A1HDAC3
Acetic Acid SCHEMBL30574222 0.92 PAM (0.88) PAMMAOBHDAC1ALDH1A1HDAC3
Butadiene SCHEMBL27795141 0.90 PAM (0.85) PAMMAOBHDAC1ALDH1A1HDAC3

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
US-8101544-B2 Mixture of color former, acid salt, binder and solvent ; marking substrate DATALASE LTD. (GB) 2012-01-24 US disclosed
US-20080207444-A1 Coating Compositions for Marking Substrates CIBA CORPORATION 2008-08-28 US disclosed