SCHEMBL8973589

SCHEMBL8973589

Nc1ccccc1-c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.60
HCAR2 Q8TDS4 2/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
TNKS O95271 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
FFAR1 O14842 1/20 0.53
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
CA12 O43570 1/20 0.52

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
SCHEMBL29576664 0.83 BACE1 (0.64) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL28887390 0.83 BACE1 (0.64) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL8641083 0.83 HDAC2 (0.60) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL28181230 0.82 NPSR1 (0.53) HDAC2HCAR2HDAC3HDAC4HDAC1
Cinnamic Acid SCHEMBL29454354 0.82 HDAC2 (0.76) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL11824455 0.81 HCAR2 (0.58) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL1510128 0.81 HDAC2 (0.58) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL9632880 0.81 HDAC2 (0.58) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL11833306 0.81 HDAC2 (0.58) HDAC2HCAR2HDAC3HDAC4HDAC1
SCHEMBL1510127 0.81 HDAC2 (0.58) HDAC2HCAR2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527824-A ADMINISTERING IN THE TREATMENT OF ASTHMA, PSORIASIS AND ALLERGIC CONDITIONS RIKER LABORATORIES, INC. (US) 1996-06-18 US disclosed
US-5498745-A ANTIALLERGEN INTERMEDIATES, INHIBITORS OF LEUKOTRIENES, LIPOXYGENASE INHIBITORS RIKER LABORATORIES, INC. (US) 1996-03-12 US disclosed
US-5495043-A ANTIALLERGENS RIKER LABORATORIES, INC. (US) 1996-02-27 US disclosed
US-5416113-A Bronchodilators RIKER LABORATORIES, INC. (US) 1995-05-16 US disclosed
US-5347036-A Antiallergens RIKER LABORATORIES, INC. (US) 1994-09-13 US disclosed
US-5237070-A Antiallergens, inhibiting bronchoconstriction RIKER LABORATORIES, INC. (US) 1993-08-17 US disclosed
EP-0212848-A2 Substituted-di-t-butylphenols RIKER LABORATORIES, INC. (US) 1987-03-04 EP disclosed