SCHEMBL14517852

SCHEMBL14517852

CC(C)CCc1ccc(OCC2CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARG P37231 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 4/20 0.43
DRD4 P21917 4/20 0.43
GLA P06280 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL6296989 0.89 ALDH1A1 (0.70) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL11432889 0.88 ALDH1A1 (0.51) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL3871705 0.85 TDP1 (0.66) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL4365824 0.84 ALDH1A1 (0.57) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL283517 0.83 TDP1 (0.56) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL7297486 0.82 ALDH1A1 (0.49) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL1680021 0.82 KMT2A (0.58) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL6861320 0.82 TDP1 (0.61) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL4902039 0.81 ALDH1A1 (0.57) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL4081261 0.81 ALDH1A1 (0.57) ALDH1A1TP53TSHRMEN1KMT2A

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-7202013-B2 Antireflective film material, and antireflective film and pattern formation method using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-04-10 US disclosed
US-7163778-B2 Anti-reflection film material and a substrate having an anti-reflection film and a method for forming a pattern SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-01-16 US disclosed