SCHEMBL7876908

SCHEMBL7876908

CC(C)(NCCCn1ccnc1)c1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
QPCT Q16769 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GHSR Q92847 1/20 0.42
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9021076 0.86 GAA (0.41) KMT2AMEN1QPCTSMN1; SMN2GHSR
SCHEMBL8446862 0.85 QPCT (0.61) HMOX1KMT2AMEN1QPCTPOLB
Hydrochloric Acid SCHEMBL7875165 0.84 QPCT (0.60) HMOX1KMT2AMEN1QPCTPOLB
SCHEMBL13696720 0.82 CYP11B1 (0.55) QPCTSMN1; SMN2ALDH1A1
SCHEMBL7868649 0.82 QPCT (0.58) HMOX1KMT2AMEN1QPCTPOLB
SCHEMBL7868767 0.81 CYP19A1 (0.47) HMOX1KMT2AMEN1QPCTPOLB
SCHEMBL8445910 0.81 CYP19A1 (0.47) HMOX1KMT2AMEN1QPCTPOLB
SCHEMBL8444382 0.81 GSK3A (0.48) KMT2AMEN1QPCTPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8445872 0.80 ALDH1A1 (0.47) KMT2AMEN1QPCTPOLBSMN1; SMN2
SCHEMBL7876935 0.79 SMN1; SMN2 (0.56) KMT2AMEN1POLBSMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed