SCHEMBL28228389

SCHEMBL28228389

O=CCCc1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.54
▸ AHR P35869 2/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ GPR3 P46089 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HCRTR1 O43613 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ NPY5R Q15761 1/20 0.40

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
SCHEMBL7120374 0.84 AHR (0.48) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL19768708 0.83 AHR (0.59) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL869229 0.78 AHR (0.53) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL31522706 0.78 KIF11 (0.59) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL7031829 0.78 AHR (0.53) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL2311195 0.78 AHR (0.53) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL12997524 0.78 KIF11 (0.59) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL4062550 0.75 GABRP (0.61) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL31522704 0.75 GABRP (0.61) KIF11AHRALDH1A1HSD17B10GPR3
SCHEMBL31522707 0.75 GABRP (0.61) KIF11AHRALDH1A1HSD17B10GPR3

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-108329253-A Preceding neurogenic compounds 得克萨斯州大学系统董事会 2018-07-27 — — CN disclosed
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