SCHEMBL10062049

SCHEMBL10062049

CC(C)OC(=O)C(C#N)=C(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ESR1 P03372 1/20 0.39
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MAPT P10636 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9068628 0.89 ALDH1A1 (0.52) HPGDALDH1A1LMNAMAPK1RAB9A
SCHEMBL28895521 0.81 CES2 (0.50) HPGDALDH1A1LMNAMAPK1CES2
SCHEMBL11408016 0.79 ALDH1A1 (0.51) HPGDALDH1A1LMNAMAPK1RAB9A
SCHEMBL12433229 0.78 NPC1 (0.54) CES2CES1RAB9ANPC1MEN1
SCHEMBL1175407 0.78 NPC1 (0.54) CES2CES1RAB9ANPC1MEN1
SCHEMBL14415748 0.77 HPGD (0.48) HPGDALDH1A1LMNAMAPK1CES2
SCHEMBL12510836 0.76 ALDH1A1 (0.45) HPGDALDH1A1LMNAMAPK1CES2
SCHEMBL1176115 0.76 NPC1 (0.52) HPGDALDH1A1MAPK1CES2CES1
SCHEMBL7638576 0.76 CES2 (0.61) HPGDALDH1A1MAPK1CES2CES1
SCHEMBL5533631 0.75 ALDH1A1 (0.50) HPGDALDH1A1LMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158678-B2 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use CPH INNOVATIONS CORP. 2012-04-17 US disclosed
US-8158678-B2 Photoabsorbing, highly conjugated compounds of cyanoacrylic esters, sunscreen compositions and methods of use CPH INNOVATIONS CORP. 2012-04-17 US disclosed