SCHEMBL7270975

SCHEMBL7270975

CCN(C(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ABCB1 P08183 2/20 0.46
CTRB1 P17538 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL25179533 0.94 L3MBTL1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL24734359 0.94 L3MBTL1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL25182954 0.92 ADAMTS5 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL25178720 0.89 PPARG (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL7264606 0.86 ABCB1 (0.44) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL25178778 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL547221 0.85 LMNA (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6045641 0.85 LMNA (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL547202 0.85 LMNA (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL8021039 0.83 LDHA (0.49) ALDH1A1ITGB3ITGA2BMAPT

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-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP disclosed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US disclosed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed