Dimethyl Sulfoxide

Dimethyl Sulfoxide

SCHEMBL8611769

C[S+](C)[O-].O=C(O)c1ccccc1OI

nearest known ligand 0.53

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Known targets — ChEMBL curated mechanism

MAP2K1MAP2K2

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 7/20 0.53
HPGD P15428 5/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL23475 0.89 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL8613657 0.87 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL23803720 0.87 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL8612214 0.87 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL29130716 0.86 HTT (0.54) KDM4EALDH1A1HSD17B10HPGDESR1
Lithium Ion SCHEMBL28238394 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDESR1
Boric Acid SCHEMBL28237327 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDESR1
Boric Acid SCHEMBL28237326 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDESR1
Phthalic Acid SCHEMBL28187004 0.80 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10HPGDESR1
Tetrahydrofuran SCHEMBL29130701 0.76 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117303995-A Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel 西北工业大学重庆科创中心 2023-12-29 CN disclosed
CN-116445159-A Near-infrared luminous carbon dot and preparation method and application thereof 澳门大学 2023-07-18 CN disclosed
EP-0658533-B1 Process for the oxidation of primary and secondary alcohols to aldehydes and ketones and for the oxidation of 1,2-diols to alpha-ketols and alpha-diketones SIGMA TAU IND FARMACEUTI (IT) 1998-04-15 EP disclosed
US-5510538-A USING O-IODOXYBENZOIC ACID AS OXIDIZING AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1996-04-23 US disclosed
EP-0658533-A1 Process for the oxidation of primary and secondary alcohols to aldehydes and ketones and for the oxidation of 1,2-diols to alpha-ketols and alpha-diketones Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-06-21 EP disclosed