SCHEMBL818253

SCHEMBL818253

C=Cc1ccccc1CC1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.56
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.38
HTR2C P28335 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL817622 0.91 EED (0.45) EEDCHRNB2CHRNA4HRH4HRH3
SCHEMBL461670 0.82 EED (0.37) EEDHTR2C
SCHEMBL818434 0.81 GBA1 (0.51) HRH4HRH3
SCHEMBL11633199 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3466544 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL28517671 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3466546 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL19908818 0.77 EED (0.56) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL818681 0.74 EED (0.50) EEDCHRNB2CHRNA4KMT2AHRH4
SCHEMBL3160580 0.73 EED (0.56) EEDCHRNB2CHRNA4CHRNB4CHRNA3

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed