SCHEMBL7388573

SCHEMBL7388573

ClCCCCCOCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
IDO1 P14902 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NAAA Q02083 1/20 0.41
KCNA3 P22001 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7239389 0.92 MEN1 (0.46) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL6895507 0.87 LTA4H (0.55) TDP1L3MBTL1
SCHEMBL3886046 0.84 CA1 (0.44) TDP1MEN1KMT2AHRH3IDO1
SCHEMBL31018369 0.83 L3MBTL1 (0.51) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL10826161 0.82 L3MBTL1 (0.54) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL6941525 0.82 L3MBTL1 (0.54) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL10825883 0.82 L3MBTL1 (0.54) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL3289641 0.82 L3MBTL1 (0.54) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL31018373 0.81 L3MBTL1 (0.50) TDP1L3MBTL1HRH3NAAAKCNA3
SCHEMBL7449325 0.81 TDP1 (0.61) TDP1L3MBTL1MEN1KMT2AHRH3

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