SCHEMBL30516239

SCHEMBL30516239

NCC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.62
POLB P06746 1/20 0.61
MBTPS1 Q14703 1/20 0.60
TACR1 P25103 3/20 0.60
CTSC P53634 2/20 0.54
TYR P14679 1/20 0.53
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
MAPT P10636 1/20 0.50
S1PR1 P21453 1/20 0.50
MME P08473 1/20 0.49
ANPEP P15144 1/20 0.49

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
SCHEMBL18515876 1.00 ACE (0.62) ACEPOLBMBTPS1TACR1CTSC
SCHEMBL18429658 1.00 ACE (0.62) ACEPOLBMBTPS1TACR1CTSC
Hydrochloric Acid SCHEMBL11526166 0.99 ACE (0.60) ACEPOLBMBTPS1TACR1CTSC
SCHEMBL30872643 0.91 ACE (0.56) ACEPOLBMBTPS1TACR1TYR
SCHEMBL10825244 0.90 ACE (0.67) ACEPOLBMBTPS1TACR1TYR
SCHEMBL29808005 0.89 ACE (0.52) ACEPOLBMBTPS1TACR1CTSC
SCHEMBL11858343 0.88 ACE (0.51) ACEPOLBMBTPS1TACR1TYR
SCHEMBL12292738 0.88 ACE (0.51) ACEPOLBMBTPS1TACR1CTSC
SCHEMBL7373368 0.87 POLB (0.50) ACEPOLBMBTPS1TACR1CTSC
SCHEMBL28288517 0.87 CTRB1 (0.51) ACEPOLBMBTPS1TACR1CTSC

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
CN-109517032-B Tetrapeptide compound and preparation method and application thereof 兰州大学 2023-07-28 CN disclosed