SCHEMBL28294530

SCHEMBL28294530

CCOCCCCNCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
ADRB2 P07550 1/20 0.36
EPHX2 P34913 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL12133607 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28296228 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL20231617 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL20710373 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1001731 0.79 PKM (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL19772389 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ATSHRKDM4E
SCHEMBL20123849 0.78 USP2 (0.49) ALDH1A1SMN1; SMN2KDM4EADRB2CYP1A2
SCHEMBL14514991 0.77 CYP2C19 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1140977 0.77 TSHR (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5933472 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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