SCHEMBL10070199

SCHEMBL10070199

CC(C)c1ccc(C(=O)CCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.65
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ABCB1 P08183 2/20 0.52
DPP4 P27487 1/20 0.51
EPHX1 P07099 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL10070201 0.93 L3MBTL1 (0.60) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL10070197 0.91 USP5 (0.66) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL8118437 0.85 USP5 (0.72) USP5RAB9ANPC1ALDH1A1L3MBTL1
Phenyl Propionic Acid SCHEMBL6567856 0.84 KEAP1 (0.59) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL10070207 0.83 RAB9A (0.68) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL10070206 0.83 RAB9A (0.68) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL28251466 0.82 TDP1 (0.77) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30572 0.82 TDP1 (0.77) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30089581 0.82 USP5 (0.85) USP5RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL15524969 0.82 TDP1 (0.77) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2

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-2012016619-A1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2012-02-09 WO disclosed