SCHEMBL3667774

SCHEMBL3667774

CC(C)(C(=O)c1ccc2c(c1)COC2)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL9681072 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL22355416 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681331 0.86 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458798 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458525 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL23805897 0.81 SRD5A2 (0.52) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10885245 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10942634 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10943047 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10944580 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642296-B2 2-hydroxy-1-(4-hydroxymethyl-phenyl)-2-methyl-propan-1-one, have higher reactivity at the benzylic hydroxy group and do not have a tendency to yellowing; photocurable composition for pigmented or non-pigmented varnish surface coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-05 — — US disclosed
US-20070240609-A1 Photoinitiators IGM GROUP B.V. (NL) 2007-10-18 — — US disclosed
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 — — EP disclosed
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