SCHEMBL11479230

SCHEMBL11479230

O=C(CCCl)NCc1ccco1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.69
ALDH1A1 P00352 7/20 0.69
POLB P06746 4/20 0.69
MAPT P10636 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
KDM4E B2RXH2 1/20 0.69
PTPN7 P35236 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 2/20 0.56
NPC1 O15118 1/20 0.56
CYP2C9 P11712 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL2926521 0.87 ALDH1A1 (0.69) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL6029533 0.86 ALDH1A1 (0.68) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL19726938 0.86 HPGD (0.73) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL5116644 0.85 HPGD (0.71) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL21630176 0.85 HPGD (0.71) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL29410065 0.84 ALDH1A1 (0.74) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL2115850 0.82 HPGD (1.00) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL28180601 0.82 HPGD (0.68) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL6289033 0.81 ALDH1A1 (0.70) HPGDALDH1A1POLBMAPTL3MBTL1
SCHEMBL9912447 0.81 ALDH1A1 (0.70) HPGDALDH1A1POLBMAPTL3MBTL1

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-4200652-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-04-29 US disclosed
US-4115409-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed