SCHEMBL11148296

SCHEMBL11148296

O=C(Cc1ccccc1O)ON1C(=O)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
MPO P05164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HSPA5 P11021 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
IDO1 P14902 2/20 0.37
PARL Q9H300 1/20 0.37
MGLL Q99685 1/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 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
SCHEMBL19658180 0.90 KMT2A (0.41) AKR1B1ALDH1A1KMT2AMAPK1HPGD
SCHEMBL5409417 0.86 PSMB8 (0.41) AKR1B1MPOALDH1A1POLBHSPA5
SCHEMBL28545230 0.80 TDP1 (0.53) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL5155762 0.80 KMT2A (0.49) KMT2ASIGMAR1TSHRMEN1MAPT
SCHEMBL9186144 0.79 AKR1B1 (0.37) AKR1B1ALDH1A1POLBKMT2AHPGD
SCHEMBL2450503 0.78 KMT2A (0.57) AKR1B1ALDH1A1KMT2AMAPK1HPGD
SCHEMBL11142242 0.78 ALDH1A1 (0.50) ALDH1A1KMT2ASIGMAR1CYP2D6MEN1
SCHEMBL11030785 0.78 MGLL (0.51) ALDH1A1KMT2AMAPK1HPGDMGLL
SCHEMBL7314478 0.76 HTR1A (0.47) ALDH1A1KMT2AMAPK1HPGDKDM4E
SCHEMBL499428 0.75 KMT2A (0.46) ALDH1A1KMT2AMAPK1HPGDPARL

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
US-7217575-B2 Avidin derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2007-05-15 US disclosed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US disclosed