SCHEMBL9331123

SCHEMBL9331123

C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MPO P05164 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
CTSL P07711 2/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
TP53 P04637 1/20 0.54
TACR1 P25103 4/20 0.52
CTSC P53634 4/20 0.52
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
ADRB1 P08588 1/20 0.50
HTR1A P08908 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
SCHEMBL4068546 0.87 CTSL (0.56) MAPTKDM4EMEN1LMNAMPO
SCHEMBL7775097 0.86 MAPT (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL594511 0.86 MAPT (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL29498785 0.86 MAPT (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL30406357 0.86 MAPT (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL21309637 0.86 MAPT (0.65) MAPTKDM4EMEN1LMNAMPO
SCHEMBL30064663 0.85 CTSL (0.71) MAPTCTSLCTSSCTSKTP53
Hydrochloric Acid SCHEMBL7690928 0.85 MAPT (0.64) MAPTKDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL3954521 0.85 MAPT (0.64) MAPTKDM4EMEN1LMNAMPO
SCHEMBL1617917 0.84 KDM4E (0.70) MAPTKDM4EMEN1LMNAMPO

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-0359399-B1 Process for the enzymatic production of dipeptides CARLBIOTECH LTD AS (DK) 1994-03-16 EP disclosed
EP-0359399-A1 Process for the enzymatic production of dipeptides CARLBIOTECH LTD. A/S (DK) 1990-03-21 EP disclosed
WO-1990001555-A1 A PROCESS FOR ENZYMATIC PRODUCTION OF DIPEPTIDES OR STRUCTURALLY RELATED COMPOUNDS CARLBIOTECH LTD. A/S (DK) 1990-02-22 WO disclosed