SCHEMBL7873864

SCHEMBL7873864

CC(C)(CO)NCCCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.56
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TBXAS1 P24557 5/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL7749739 0.83 QPCT (0.61) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22436181 0.83 TBXAS1 (0.54) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19352790 0.79 QPCT (0.54) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13762257 0.79 TBXAS1 (0.60) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7879569 0.77 QPCT (0.49) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7877319 0.76 QPCT (0.44) QPCTMEN1KMT2AALDH1A1NPC1
SCHEMBL7877259 0.76 LMNA (0.54) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7873758 0.74 TBXAS1 (0.56) QPCTTBXAS1MEN1KMT2AALDH1A1
SCHEMBL7873790 0.74 QPCT (0.46) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7913675 0.74 LMNA (0.53) QPCTCYP1A2CYP3A4CYP2D6CYP2C9

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