SCHEMBL9397484

SCHEMBL9397484

C[C@@H](OC(=O)[C@@H](N)[C@@H](C)OC(=O)[C@@H](N)COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@H](N)C(=O)OC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)OC(=O)[C@@H](N)Cc2ccc(O)cc2)cc1.N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
MPO P05164 1/20 0.47
HIF1A Q16665 1/20 0.47
TACR1 P25103 2/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
LTA4H P09960 1/20 0.44
PLA2G2A P14555 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
ERAP2 Q6P179 9/20 0.42
ERAP1 Q9NZ08 8/20 0.42
LNPEP Q9UIQ6 3/20 0.42

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
Tyrosine SCHEMBL6135474 0.91 KMT2A (0.50) KMT2AKDM4EMAPTMEN1LMNA
Tyrosine SCHEMBL1833539 0.86 KMT2A (0.55) KMT2AKDM4EMAPTMEN1LMNA
Tyrosine SCHEMBL5605978 0.85 KMT2A (0.60) KMT2AKDM4EMAPTMEN1LMNA
Tryptophan SCHEMBL6864436 0.83 KMT2A (0.42) KMT2AKDM4EMAPTMEN1LMNA
Tryptophan SCHEMBL28205631 0.83 KMT2A (0.65) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL7356307 0.82 KDM4E (0.63) KMT2AKDM4EMAPTMEN1LMNA
Tyrosine SCHEMBL9449484 0.81 KDM4E (0.63) KMT2AKDM4EMAPTMEN1LMNA
Tyrosine SCHEMBL1065122 0.81 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL15555538 0.81 SLC7A5 (0.48) ERAP2LNPEPSLC6A2
SCHEMBL6032937 0.81 KMT2A (0.71) KMT2AKDM4EMAPTMEN1LMNA

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
CN-1436239-A Novel enzyme gene and expression product thereof OTSUKA PHARMA CO LTD (JP) 2003-08-13 CN disclosed
WO-1994028018-A2 SYNTHETIC STERICALLY-CONSTRAINED CATALYSTS ATASSI ZOUHAIR (US) 1994-12-08 WO disclosed