SCHEMBL7305849

SCHEMBL7305849

CCCCCCOCCOCCc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL16892547 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL991496 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL16055970 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7305774 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7296008 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL16892584 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7297264 0.96 MEN1 (0.40) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7295179 0.93 MEN1 (0.48) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL7294115 0.93 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL16892535 0.91 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNACYP3A4

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