Sulfuric Acid

Sulfuric Acid

SCHEMBL28610219

CCCCCCCCCCCCN(CC)C(C)(C)C.O=S(=O)(O)O

nearest known ligand 0.37

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
TP53 P04637 1/20 0.37
DNM1 Q05193 3/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
MGLL Q99685 1/20 0.35
EPHX1 P07099 1/20 0.35
PPARA Q07869 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR2 P34972 1/20 0.34
FAAH O00519 2/20 0.33

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
SCHEMBL8854163 0.88 DNM1 (0.46) DNM1CA1CA2MGLLCA12
SCHEMBL25634934 0.88 DNM1 (0.46) DNM1CA1CA2MGLLCA12
Sulfuric Acid SCHEMBL5183189 0.87 SERPINE1 (0.36) SERPINE1TP53DNM1CA1CA2
SCHEMBL14472702 0.85 DNM1 (0.42) DNM1CA1CA2MGLLCA12
SCHEMBL28389756 0.79 CA1 (0.34) SERPINE1TP53DNM1CA1CA2
Nonane SCHEMBL28466423 0.79 DNM1 (0.50) DNM1CA1CA2MGLLCA12
SCHEMBL14997773 0.79 DNM1 (0.50) DNM1CA1CA2MGLLCA12
SCHEMBL14997774 0.79 DNM1 (0.50) DNM1CA1CA2MGLLCA12
SCHEMBL7770548 0.79 CA12 (0.33) DNM1CA1CA2CA12CA9
SCHEMBL10705836 0.79 DNM1 (0.50) DNM1CA1CA2MGLLCA12

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-110530055-B Absorption type water chiller/heater, refill liquid for absorption type water chiller/heater, absorption liquid for absorption type water chiller/heater, and maintenance method 株式会社克莱瑞斯 2021-08-20 CN disclosed