SCHEMBL7298071

SCHEMBL7298071

CCOCCOCCCc1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GGPS1 O95749 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL3191931 0.96 RAB9A (0.41) SMN1; SMN2RAB9AGGPS1MEN1KMT2A
SCHEMBL7294672 0.89 CYP3A4 (0.46) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7333223 0.89 MEN1 (0.40) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL16892572 0.89 TDP1 (0.41) SMN1; SMN2RAB9AMEN1KMT2AUSP2
SCHEMBL7293751 0.89 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AMEN1KMT2AUSP2
SCHEMBL7298307 0.87 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7304240 0.87 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7294183 0.87 HRH3 (0.39) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7295179 0.86 MEN1 (0.48) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1
SCHEMBL7327631 0.85 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AUSP2ALDH1A1

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed