SCHEMBL7387888

SCHEMBL7387888

O=C(CCCCCBr)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CTNNB1 P35222 4/20 0.51
WNT3A P56704 4/20 0.51
PARP1 P09874 1/20 0.49
NPC1 O15118 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX12 P18054 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL5663318 0.85 CTNNB1 (0.50) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL5258133 0.85 CES2 (0.53) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL5258130 0.85 CES2 (0.53) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL5660149 0.83 CES2 (0.52) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL28922045 0.83 CES2 (0.52) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL7648015 0.81 CES2 (0.53) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL8846361 0.81 HDAC1 (0.58) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL29508072 0.81 HTR7 (0.64) MAPTLMNACES2CES1CTNNB1
SCHEMBL3022950 0.81 CES2 (0.53) MAPTLMNAL3MBTL1TDP1CES2
SCHEMBL7392363 0.81 L3MBTL1 (0.53) MAPTLMNAL3MBTL1TDP1CTNNB1

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