SCHEMBL8893427

SCHEMBL8893427

CC(O)CCC[C@H](C)[C@@H](C(=O)CC(O)C(=O)O)N(C)C(=O)[C@H](C)N(C)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.35
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL8893116 0.98 MEN1 (0.36) MEN1KMT2AHPGDLTA4HALDH1A1
SCHEMBL8895729 0.89 L3MBTL1 (0.34) MEN1KMT2AHPGDLTA4HALDH1A1
SCHEMBL8896038 0.88 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL8893220 0.86 ALDH1A1 (0.33) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL8893928 0.82 ABCB1 (0.40) MEN1KMT2ALTA4HALDH1A1LMNA
SCHEMBL3050396 0.78 KMT2A (0.49) MEN1KMT2AHPGDLTA4HALDH1A1
SCHEMBL3474010 0.78 LTA4H (0.35) KMT2AHPGDLTA4HALDH1A1
SCHEMBL8707727 0.78 ABCB1 (0.41) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8894248 0.78 ALDH1A1 (0.32) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8894581 0.76 MEN1 (0.42) MEN1KMT2AHPGDALDH1A1ADRA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed