SCHEMBL27612693

SCHEMBL27612693

CC(O)O.CCCCOCCCC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 2/20 0.46
SPHK1 Q9NYA1 1/20 0.45
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CES2 O00748 1/20 0.39
HPGD P15428 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
TDP1 Q9NUW8 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
Isopropyl Alcohol SCHEMBL8218567 0.94 TSHR (0.62) TSHRHTTMAPTMEN1THRB
SCHEMBL873338 0.92 TSHR (0.59) TSHRHTTMAPTMEN1THRB
Butoxyethanol SCHEMBL6755309 0.88 TSHR (0.77) TSHRHTTMAPTMEN1THRB
Propylene Glycol SCHEMBL4954281 0.87 TSHR (0.61) TSHRHTTMAPTMEN1THRB
Isopropyl Alcohol SCHEMBL28071707 0.87 TSHR (0.54) TSHRHTTMAPTMEN1THRB
Propylene Glycol SCHEMBL55673 0.87 TSHR (0.61) TSHRHTTMAPTMEN1THRB
SCHEMBL27999594 0.86 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL27974654 0.86 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL28011519 0.86 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL1283991 0.86 TSHR (0.59) TSHRHTTMAPTMEN1THRB

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
CN-1618939-A Cleaning agent pinene containing solvent UNIV WUHAN TECH (CN) 2005-05-25 CN disclosed