SCHEMBL28294531

SCHEMBL28294531

CCOCCNCCC(C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
THRB P10828 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28296228 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL13037330 0.83 KDM4E (0.33) ALDH1A1TSHRSMN1; SMN2KDM4ERECQL
SCHEMBL11866579 0.82 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4ERECQLTHRB
SCHEMBL12133607 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL28296230 0.81 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL366208 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1
SCHEMBL239490 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL623824 0.77
SCHEMBL14365750 0.77
Hydrochloric Acid SCHEMBL1965268 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRKDM4E

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-109876600-A The removing method and sour gas removing device of acid gas absorbent, sour gas 株式会社东芝 2019-06-14 CN claimed
CN-109876600-A The removing method and sour gas removing device of acid gas absorbent, sour gas 株式会社东芝 2019-06-14 CN disclosed