SCHEMBL13690140

SCHEMBL13690140

CC(C)CC(C(=O)OCCO)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL10069154 0.85 HCAR2 (0.37) TSHRMMP1MMP2MMP3ALDH1A1
SCHEMBL13878235 0.84 GAA (0.33) ALDH1A1ACHE
SCHEMBL13946436 0.83 TSHR (0.34) TSHRMMP1MMP2MMP3
SCHEMBL13537882 0.81 ATM (0.46) TSHRALDH1A1
SCHEMBL13875466 0.80 CHRM1 (0.44) MMP1MMP2MMP3ALDH1A1CHRNB2
SCHEMBL14748186 0.80 TSHR (0.45) TSHRMMP1MMP2MMP3ALDH1A1
SCHEMBL13537881 0.80 MMP8 (0.41) MMP1MMP2MMP3ALDH1A1
SCHEMBL13536915 0.79 CTSS (0.35) MMP1MMP2MMP3
SCHEMBL14584559 0.79 NAAA (0.46) TSHRALDH1A1ACHE
SCHEMBL9054542 0.78 TSHR (0.33) TSHRALDH1A1ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9761449-B2 Gap filling materials and methods TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2017-09-12 US disclosed
WO-2009107868-A1 THERMAL TRANSFER SHEET AND IMAGE FORMATION METHOD USING SAME FUJIFILM CORPORATION (JP) 2009-09-03 WO disclosed
US-20090191478-A1 METHOD OF FORMING RESIST PATTERN AND NEGATIVE RESIST COMPOSITION TOKYO OHKA KOGYO CO., LTD (JP) 2009-07-30 US disclosed