SCHEMBL7264606

SCHEMBL7264606

CC(C)CN(C(=O)OCc1ccccc1)[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CTRB1 P17538 2/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CTSB P07858 3/20 0.41
ACE2 Q9BYF1 1/20 0.41
SLC15A1 P46059 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7270975 0.86 ALDH1A1 (0.49) ABCB1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL5692839 0.83 EPOR (0.48) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL28698563 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL22857420 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL25179533 0.81 L3MBTL1 (0.47) ABCB1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL24734359 0.81 L3MBTL1 (0.47) ABCB1ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL2494968 0.80 ITGB3 (0.59) ABCB1ALDH1A1L3MBTL1ITGB3ITGA2B
SCHEMBL31739224 0.80 ITGB3 (0.59) ABCB1ALDH1A1L3MBTL1ITGB3ITGA2B
SCHEMBL2968658 0.80 ITGB3 (0.59) ABCB1ALDH1A1L3MBTL1ITGB3ITGA2B
SCHEMBL8067076 0.80 ITGB3 (0.59) ABCB1ALDH1A1L3MBTL1ITGB3ITGA2B

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