SCHEMBL8985113

SCHEMBL8985113

CC(Cc1ccccc1CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
RXRA P19793 1/20 0.41
NR4A2 P43354 1/20 0.41
ELANE P08246 1/20 0.41
GABRR1 P24046 2/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL8520662 0.90 APAF1 (0.59) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL28797485 0.81 APAF1 (0.51) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL30404131 0.79 SLC7A5 (0.60) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL19295494 0.79 KDM4E (0.53) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL1818794 0.79 SLC7A5 (0.60) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL19295493 0.79 KDM4E (0.53) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL7629121 0.79 KDM4E (0.53) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL5311363 0.79 POLB (0.57) APAF1KDM4EPOLBMAPTRECQL
SCHEMBL20513564 0.79 SLC7A5 (0.60) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL1818793 0.79 SLC7A5 (0.60) KDM4EPOLBMAPTRECQLL3MBTL1

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-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 US disclosed
US-5444048-A Antiinflammatory agents, analgesics SCIOS NOVA, INC. (US) 1995-08-22 US disclosed