SCHEMBL20099740

SCHEMBL20099740

CCC(C)c1ccc(OC(C)(CC)C(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
VDR P11473 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BCHE P06276 3/20 0.34
ACHE P22303 3/20 0.34
FBP1 P09467 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL10182459 0.81 ALDH1A1 (0.48) ALDH1A1TSHRGAALMNAMEN1
SCHEMBL16379411 0.80 ALDH1A1 (0.40) ALDH1A1TSHRUSP2GAAPKM
SCHEMBL10182636 0.80 ALDH1A1 (0.38) AAK1ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL18713512 0.73 PDE2A (0.39) ALDH1A1TSHRUSP2GAAPKM
SCHEMBL26189986 0.72 OPRK1 (0.48) ALDH1A1TSHRUSP2HPGDACHE
SCHEMBL10148396 0.72 ALDH1A1 (0.42) ALDH1A1TSHRTAS1R3TAS1R1USP2
SCHEMBL2740737 0.69 LMNA (0.45) ALDH1A1ACHELMNAKMT2AHIF1A
SCHEMBL10182474 0.69 ALDH1A1 (0.43) ALDH1A1TSHRUSP2GAAPKM
SCHEMBL15219451 0.69 ALDH1A1 (0.43) ALDH1A1TSHRUSP2GAAPKM
SCHEMBL9963706 0.69 ALDH1A1 (0.49) ALDH1A1TSHRTAS1R3TAS1R1USP2

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
US-20180120708-A1 RINSING LIQUID, PATTERN FORMING METHOD, AND ELECTRONIC DEVICE MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed