SCHEMBL28168232

SCHEMBL28168232

C=CCCC(C(=O)OC)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ CTSB P07858 2/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ TGM2 P21980 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FAAH O00519 2/20 0.40
▸ KYNU Q16719 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ MIF P14174 1/20 0.40

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
SCHEMBL28168230 0.93 ALDH1A1 (0.47) ALDH1A1CTSBTGM2HCAR2MAPK1
SCHEMBL28168070 0.89 TDP1 (0.49) ALDH1A1CTSBHCAR2MAPK1L3MBTL1
SCHEMBL28168087 0.88 ALDH1A1 (0.46) ALDH1A1CTSBTGM2HCAR2MAPK1
SCHEMBL15177646 0.84 HTT (0.49) ALDH1A1CTSBLTA4HMAPK1L3MBTL1
SCHEMBL11520731 0.81 ALDH1A1 (0.49) ALDH1A1CTSBTGM2HCAR2MAPK1
SCHEMBL24323651 0.80 ALDH1A1 (0.58) ALDH1A1CTSBALOX15TRPM8KYNU
SCHEMBL24323665 0.80 ALDH1A1 (0.58) ALDH1A1CTSBALOX15TRPM8KYNU
SCHEMBL28126654 0.80 ALDH1A1 (0.47) ALDH1A1KMT2A
SCHEMBL139860 0.79 ALDH1A1 (0.53) ALDH1A1CTSBALOX15LTA4HTRPM8
SCHEMBL139859 0.79 ALDH1A1 (0.53) ALDH1A1CTSBALOX15LTA4HTRPM8

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-107075037-A Include the polymer and its polymer composition of one or more 1,1 dibasic olefin(e) compounds 赛鲁斯股份有限公司 2017-08-18 — — CN claimed
CN-107075037-A Include the polymer and its polymer composition of one or more 1,1 dibasic olefin(e) compounds 赛鲁斯股份有限公司 2017-08-18 — — CN disclosed
Send feedback