SCHEMBL27363044

SCHEMBL27363044

CCCCCN1CCNCC1C(C)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
GNAO1 P09471 5/20 0.36
GNAI3 P08754 4/20 0.36
GNAI1 P63096 4/20 0.36
PRKCD Q05655 4/20 0.35
GBA1 P04062 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GBA2 Q9HCG7 1/20 0.33

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
SCHEMBL10385630 0.85 TDP1 (0.36) TDP1
SCHEMBL6700157 0.84 TDP1 (0.40) TDP1GNAO1GNAI3GNAI1PRKCD
SCHEMBL10385678 0.82 TDP1 (0.39) TDP1
SCHEMBL26626969 0.82 TDP1 (0.38) TDP1
SCHEMBL10385183 0.81 TDP1 (0.41) TDP1
SCHEMBL28068690 0.77 GBA1 (0.41) GNAO1GNAI3GNAI1GBA1GBA2
SCHEMBL10385681 0.77 TDP1 (0.35) TDP1
SCHEMBL10386722 0.76 TDP1 (0.38) TDP1
SCHEMBL1139996 0.76 TDP1 (0.36) TDP1
SCHEMBL27827297 0.76 GBA1 (0.43) GNAO1GNAI3GNAI1GBA1GBA2

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
CN-1052144-A The Compounds and methods for of diagnosis and treatment cancer AUSTRALIAN COMMERCIAL RESEARCH (AU) 1991-06-12 CN disclosed