SCHEMBL9653129

SCHEMBL9653129

O=C(CI)Nc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SGMS2 Q8NHU3 1/20 0.51
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
P2RX4 Q99571 1/20 0.49
BRD4 O60885 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
ACP1 P24666 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN13 Q12923 1/20 0.48
SSU72 Q9NP77 1/20 0.48

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
SCHEMBL9653543 0.86 C5AR1 (0.59) C5AR1MEN1KMT2AKDM4ELTA4H
SCHEMBL11548021 0.82 NPC1 (0.68) C5AR1MEN1KMT2AKDM4ESGMS2
SCHEMBL17372654 0.80 NPC1 (0.60) C5AR1MEN1KMT2AKDM4ECTSV
SCHEMBL22502390 0.78 C5AR1 (0.62) C5AR1MEN1KMT2AKDM4ECTSV
SCHEMBL11595438 0.77 C5AR1 (0.69) C5AR1KMT2APOLBMAPT
SCHEMBL7322931 0.77 NPC1 (0.63) C5AR1MEN1KMT2AKDM4ECTSV
SCHEMBL11264325 0.76 C5AR1 (0.60) C5AR1MEN1KMT2AKDM4EGAA
SCHEMBL11276150 0.76 C5AR1 (0.60) C5AR1CTSVCTSL
Hydrochloric Acid SCHEMBL11596870 0.76 C5AR1 (0.67) C5AR1KMT2APOLBMAPT
SCHEMBL28776233 0.76 FFAR4 (0.55) C5AR1MEN1KMT2AKDM4ELTA4H

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-0243924-B1 2-OXO-1-(SUBSTITUTED PHOSPHOROUS)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1992-12-23 EP disclosed
US-4723002-A 1-(substituted phosphorous)-azetidinone antibacterials E. R. SQUIBB & SONS, INC. 1988-02-02 US disclosed
EP-0243924-A2 2-Oxo-1-(substituted phosphorous)azetidines E.R. Squibb & Sons, Inc. (US) 1987-11-04 EP disclosed