SCHEMBL28417651

SCHEMBL28417651

CCCCCCCCCCCCCCCCCC(=O)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.59
▸ DGKA P23743 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ DNM1 Q05193 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PAM P19021 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL10822565 1.00 NAAA (0.59) NAAADGKALMNADNM1THRA
SCHEMBL11319310 1.00 NAAA (0.59) NAAADGKALMNADNM1THRA
SCHEMBL9138152 1.00 NAAA (0.59) NAAADGKALMNADNM1THRA
SCHEMBL2537962 0.92 NAAA (0.51) NAAALMNAMAPT
SCHEMBL16099215 0.83 NAAA (0.39) NAAALMNAALDH1A1EPHX2
SCHEMBL3415819 0.79 NAAA (0.58) NAAADGKALMNADNM1THRA
SCHEMBL11506000 0.76 NAAA (0.54) NAAADGKALMNAALDH1A1MAPT
SCHEMBL11508022 0.76 DNM1 (0.59) NAAADGKALMNADNM1THRA
SCHEMBL11506002 0.76 DNM1 (0.59) NAAADGKALMNADNM1THRA
SCHEMBL9308084 0.75 NAAA (0.51) NAAATHRATHRBEPHX2

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-108546434-B Environment-friendly hard film antirust agent and preparation method thereof 上海巨石化工有限公司 2020-06-30 — — CN disclosed
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