SCHEMBL7384635

SCHEMBL7384635

O=C(CCCCCBr)c1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
DYRK1A Q13627 1/20 0.48
RAB9A P51151 1/20 0.47
SLC9A1 P19634 2/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TBXAS1 P24557 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 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
SCHEMBL4526358 0.98 BCL2L1 (0.54) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL1574437 0.88 BCL2L1 (0.59) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL9048628 0.85 RAB9A (0.60) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL3380570 0.84 BCL2L1 (0.51) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL4308244 0.84 BCL2L1 (0.51) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL3383078 0.83 HDAC1 (0.68) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL13783956 0.83 HDAC1 (0.68) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL10472933 0.82 BCL2L1 (0.60) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL6384612 0.81 HDAC1 (0.66) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL231135 0.81 BCL2L1 (0.62) BCL2L1HDAC1HDAC3HDAC4HDAC7

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed