SCHEMBL5433352

SCHEMBL5433352

COCCCCCCCCCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 1/20 0.61
DNM1 Q05193 3/20 0.50
KDM4E B2RXH2 2/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR1B P28222 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9858422 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL5444539 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL5442901 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL5449850 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL5452780 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL4543525 1.00 ALDH1A1 (0.61) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL2510802 0.97
SCHEMBL419073 0.88
SCHEMBL9957815 0.87 ALDH1A1 (0.46) ALDH1A1TSHRDNM1KDM4EMAOA
SCHEMBL20325034 0.85 CA12 (0.50) ALDH1A1TSHRDNM1KDM4EMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500368-A2 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2012-09-19 EP disclosed
US-20070043132-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2007-02-22 US disclosed
US-20040082465-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-04-29 US disclosed
EP-1382624-A1 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2004-01-21 EP disclosed