SCHEMBL28838240

SCHEMBL28838240

CC(C)C(=O)OCC(C)(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
TRPA1 O75762 1/20 0.45
MMP8 P22894 2/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL17599139 0.83 ALDH1A1 (0.56) CTSLCTSSCTSKTRPA1MMP8
SCHEMBL24740446 0.82 PNMT (0.43) ALDH1A1CYP2C19TSHRRECQLSLC6A2
SCHEMBL19177231 0.80 CYP3A4 (0.43) CTSLCTSSCTSKTRPA1MMP8
SCHEMBL16390785 0.79 CTSK (0.43) CTSLCTSSCTSKTRPA1MMP8
SCHEMBL25970817 0.79 MAPK1 (0.59) ALDH1A1CYP2C19CYP2C9TSHRHIF1A
SCHEMBL873285 0.78 CYP3A4 (0.55) CTSKTRPA1MMP8ALDH1A1CYP3A4
SCHEMBL18567261 0.78 RIPK1 (0.41) CTSLCTSSCTSKTRPA1ALDH1A1
SCHEMBL7643169 0.77 CTSL (0.39) CTSLCTSSCTSKTRPA1MMP8
SCHEMBL29833570 0.76 ALDH1A1 (0.49) CTSLCTSSCTSKTRPA1MMP8
SCHEMBL8416029 0.76 CTSL (0.39) CTSLCTSSCTSKTRPA1MMP8

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
CN-110368180-A Disposable body warmer 大日本除虫菊株式会社 2019-10-25 CN disclosed
CN-106456361-A Disposable bosom stove 大日本除虫菊株式会社 2017-02-22 CN disclosed