SCHEMBL7387271

SCHEMBL7387271

O=C(CCCCCBr)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.70
HDAC8 Q9BY41 7/20 0.70
PTPN1 P18031 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
HDAC3 O15379 4/20 0.59
HDAC4 P56524 4/20 0.59
HDAC7 Q8WUI4 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC10 Q969S8 4/20 0.59
HDAC11 Q96DB2 4/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC9 Q9UKV0 4/20 0.59
HDAC5 Q9UQL6 4/20 0.59
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 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
SCHEMBL3381304 1.00 HDAC1 (0.70) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL13443094 0.98 PTPN1 (0.69) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL27529851 0.88 PTPN1 (0.73) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL3379543 0.87 HDAC1 (0.70) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL5286879 0.87 HDAC1 (0.70) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL3379592 0.87 HDAC1 (0.70) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL4953757 0.85 HDAC1 (0.68) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL2821005 0.85 HDAC1 (0.68) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL12952426 0.85 HDAC1 (0.68) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E
SCHEMBL8780100 0.85 HDAC1 (0.68) HDAC1HDAC8PTPN1SMN1; SMN2KDM4E

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