SCHEMBL22778286

SCHEMBL22778286

CC(C)C(C)Cc1ccccc1OCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GLA P06280 1/20 0.58
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
RIPK1 Q13546 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 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
SCHEMBL284472 0.88 ALDH1A1 (0.61) ALDH1A1GLATDP1TP53TSHR
SCHEMBL12002355 0.84 ALDH1A1 (0.56) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8489477 0.82 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL24918568 0.82 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3412321 0.80 ALDH1A1 (0.62) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4276592 0.80 ALDH1A1 (0.67) ALDH1A1GLATDP1TP53TSHR
SCHEMBL29618932 0.80 ALDH1A1 (0.67) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1745602 0.79 ALDH1A1 (0.66) ALDH1A1GLATDP1TP53TSHR
SCHEMBL28099532 0.78 ALDH1A1 (0.53) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1129712 0.78 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53TSHR

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-20200409260-A1 PROTECTIVE FILM FORMING COMPOSITION HAVING AN ACETAL STRUCTURE NISSAN CHEMICAL CORPORATION (JP) 2020-12-31 US disclosed
US-10865332-B2 Epoxy resin composition and electronic component device SHOWA DENKO MATERIALS CO., LTD. (JP) 2020-12-15 US disclosed