SCHEMBL11022951

SCHEMBL11022951

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CN

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
POLB P06746 2/20 0.56
TACR1 P25103 1/20 0.55
HPRT1 P00492 1/20 0.54
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
CTSC P53634 2/20 0.52
MMP8 P22894 1/20 0.52
ALDH1A1 P00352 3/20 0.52
EGFR P00533 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL11155440 1.00 TP53 (0.59) TP53POLBTACR1HPRT1GAA
Hydrochloric Acid SCHEMBL3861697 0.99 TP53 (0.58) TP53POLBTACR1HPRT1GAA
Hydrochloric Acid SCHEMBL3861695 0.97 TP53 (0.57) TP53POLBTACR1HPRT1GAA
SCHEMBL3867531 0.89 REN (0.52) TP53
SCHEMBL3867533 0.89 REN (0.52) TP53
SCHEMBL9487298 0.88 TP53 (0.61) TP53POLBTACR1GAARAB9A
SCHEMBL9487303 0.88 TP53 (0.61) TP53POLBTACR1GAARAB9A
SCHEMBL4432681 0.88 ATM (0.63) POLBGAARAB9AALDH1A1MEN1
SCHEMBL4432687 0.88 ATM (0.63) POLBGAARAB9AALDH1A1MEN1
SCHEMBL10955169 0.87 LNPEP (0.51) TP53POLBALDH1A1KMT2A

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
CN-1265669-A Compounds that inhibit leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
EP-0083857-B1 DERIVATIVES OF HIPPURYL-L-PHENYLALANINE AND THEIR USE IN DETERMINING THE ACTIVITY OF CARBOXYPEPTIDASE A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-06-05 EP disclosed
US-4414323-A Method for measuring trace enzyme FUJI PHOTO FILM CO., LTD. (JP) 1983-11-08 US disclosed
EP-0083857-A1 Derivatives of hippuryl-L-phenylalanine and their use in determining the activity of carboxypeptidase A FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1983-07-20 EP disclosed