SCHEMBL6380664

SCHEMBL6380664

CCCCCCC(O)CN1CCNCCNCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
GNAI3 P08754 5/20 0.40
GNAO1 P09471 5/20 0.40
GNAI1 P63096 5/20 0.40
GPR84 Q9NQS5 4/20 0.40
RAD52 P43351 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
IDO1 P14902 1/20 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
SCHEMBL10890793 0.98 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1GNAI3
SCHEMBL31467395 0.98 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1GNAI3
SCHEMBL11039479 0.97 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1GNAI3
SCHEMBL14096698 0.91 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1GNAI3
SCHEMBL27506139 0.89 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1GNAI3
SCHEMBL31485742 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1GPR84RAD52FFAR4
SCHEMBL2801591 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1L3MBTL1SIGMAR1RAD52
SCHEMBL31510341 0.83 GNAO1 (0.44) SIGMAR1GNAI3GNAO1GNAI1GPR84
SCHEMBL3148550 0.81 SIGMAR1 (0.42) SMN1; SMN2SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL17526841 0.81 GNAO1 (0.49) SIGMAR1GNAI3GNAO1GNAI1FFAR4

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-1171480-B1 METHOD FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-05-25 EP disclosed
US-6803431-B1 COMPLEX OF A TRANSITION METAL WITH A TRIDENTATE MACROCYCLIC LIGAND WHICH BEARS AT LEAST ONE SUBSTITUENT HAVING A DONOR FUNCTION AND AN ALUMINOXANE BASF AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
EP-1171480-A1 METHOD FOR THE POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000058369-A1 METHOD FOR THE POLYMERIZATION OF OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed