SCHEMBL16561602

SCHEMBL16561602

O=C(c1ccc(Br)cc1)c1ccc(OCC2CCCO2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.61
▸ NPC1 O15118 9/20 0.61
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ LMNA P02545 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ MAPT P10636 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL1928209 0.89 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16561437 0.88 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL6072643 0.84 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16561529 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL417902 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL417903 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL565748 0.83 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL3025474 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13937031 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16561599 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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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