SCHEMBL9768699

SCHEMBL9768699

CCCC(C)(C)N(CCN(C)C)C(C)(C)CCC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DNM1 Q05193 3/20 0.35
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29055684 0.75 FDPS (0.30)
SCHEMBL19257311 0.75 DNM1 (0.31) CA12CA2CA3CA4CA6
SCHEMBL9768730 0.70
SCHEMBL27417068 0.69 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL4366996 0.69
SCHEMBL25162491 0.69
SCHEMBL27424910 0.69 DNM1 (0.38) CA12CA2CA3CA4CA6
SCHEMBL18469470 0.69
SCHEMBL16260083 0.69 DNM1 (0.38) CA12CA2CA3CA4CA6
SCHEMBL19245984 0.67 DNM1 (0.37) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021187-A In aqueous solutions iwth peroxy compounds; antisoilants; hydrophobic stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-06-04 US disclosed