SCHEMBL16561599

SCHEMBL16561599

C#CCCOc1ccc(C(=O)c2ccc(OCC3CCCO3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.56
▸ NPC1 O15118 10/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL16561529 0.88 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16561437 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16561602 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16561598 0.79 GAA (0.54) LMNAMAPTALDH1A1KMT2APKM
SCHEMBL417903 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL417902 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL565748 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL3025474 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL13937031 0.77 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16561557 0.76 PARP10 (0.47) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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
WO-2015031927-A1 PHOTOINITIATOR DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) 2015-03-12 — — WO disclosed
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