Oxirane

Oxirane

SCHEMBL15106942

C1CO1.NC(=O)c1ccccc1C(N)=O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
METAP2 P50579 1/20 0.52
PARP1 P09874 3/20 0.52
BCAT2 O15382 1/20 0.50
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
CTNNB1 P35222 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
Oxirane SCHEMBL27819769 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL4967588 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL39118 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL27700719 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHPGDTSHR
Cyclohexane SCHEMBL5166129 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHPGDTSHR
Potassium SCHEMBL317509 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDTSHR
Hydrochloric Acid SCHEMBL8612216 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL31285706 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL28458750 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL8445150 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802710-B1 CORE STRUCTURES COMPRISING TANNIN RESIN DU PONT (US) 2016-08-17 EP disclosed
EP-2802710-A1 CORE STRUCTURES COMPRISING TANNIN RESIN E. I. Du Pont de Nemours and Company (US) 2014-11-19 EP disclosed
WO-2013154619-A1 CORE STRUCTURES COMPRISING TANNIN RESIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-17 WO disclosed
US-20130183484-A1 CORE STRUCTURES COMPRISING TANNIN RESIN E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-18 US disclosed