Sulfuric Acid

Sulfuric Acid

SCHEMBL9022915

C[C@]12CC=CCC1CCC1C2CC[C@]2(C)C(=O)CCC12.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.88

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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 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.88
GPBAR1 Q8TDU6 4/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
G6PD P11413 3/20 0.56
SHBG P04278 2/20 0.56
SERPINA6 P08185 2/20 0.56
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
HSD17B3 P37058 2/20 0.56
MAPK1 P28482 2/20 0.56
PMP22 Q01453 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
OR51E2 Q9H255 1/20 0.55

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
Sulfuric Acid SCHEMBL7467213 1.00 CYP19A1 (0.88) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL9965232 0.94 CYP19A1 (1.00) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL4584277 0.94 CYP19A1 (1.00) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL334388 0.94 CYP19A1 (1.00) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL334387 0.94 CYP19A1 (1.00) CYP19A1GPBAR1LMNACYP3A4MEN1
SCHEMBL13301261 0.94 CYP19A1 (1.00) CYP19A1GPBAR1LMNACYP3A4MEN1
Sulfuric Acid SCHEMBL30504013 0.79 CYP19A1 (0.88) CYP19A1GPBAR1LMNACYP3A4MEN1
Androsterone SCHEMBL17165674 0.78 G6PD (0.90) GPBAR1LMNACYP3A4MEN1KMT2A
Androsterone SCHEMBL17165679 0.78 G6PD (0.90) GPBAR1LMNACYP3A4MEN1KMT2A
Androsterone SCHEMBL235686 0.78 G6PD (0.90) GPBAR1LMNACYP3A4MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0637203-A4 REGULATION OF THE IMMUNE SYSTEM. LORIA ROGER (US) 1996-02-28 EP disclosed
EP-0637203-A1 REGULATION OF THE IMMUNE SYSTEM LORIA, Roger (US) 1995-02-08 EP disclosed
WO-1993020696-A1 REGULATION OF THE IMMUNE SYSTEM LORIA ROGER (US) 1993-10-28 WO disclosed