Creatinine

Creatinine

SCHEMBL15323573

CCO.CN1CC(=O)NC1=N.O=C(O)CC(=O)O.OCC(O)CO

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 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
Creatinine SCHEMBL15323293 0.90 CRBN (0.40) CRBN
Creatinine SCHEMBL15323575 0.88 KDM4E (0.36) CRBN
Creatinine SCHEMBL21404094 0.87 CRBN (0.45) CRBN
Creatinine SCHEMBL15323323 0.86 CRBN (0.37) CRBN
Creatinine SCHEMBL15323472 0.84 CRBN (0.33) CRBN
Creatinine SCHEMBL17873936 0.81 CRBN (0.45) CRBN
Creatinine SCHEMBL15323676 0.80 CRBN (0.36) CRBN
Creatinine SCHEMBL15323175 0.79
Creatinine SCHEMBL15323326 0.79 CRBN (0.33) CRBN
Creatinine SCHEMBL15323589 0.79 CRBN (0.40) CRBN

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
EP-2836833-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155456-A1 PRENATAL SCREENING FOR DOWN SYNDROME AND TRISOMY 18 WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed