SCHEMBL7312251

SCHEMBL7312251

CC1CCN(C(=O)[C@H](CCCSc2ccccn2)N(C(=O)O)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7316773 0.84 POLB (0.47) POLBALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL7316767 0.84 POLB (0.47) POLBALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL7322630 0.80 L3MBTL1 (0.39) POLBALDH1A1HSD17B10KMT2AMEN1
SCHEMBL7316493 0.80 HSD11B1 (0.42) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL7336551 0.78 F2 (0.41) KMT2AHPGDCYP1A2TSHRCYP2C19
SCHEMBL7313776 0.73 ALDH1A1 (0.44) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL7309173 0.73 ALDH1A1 (0.44) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL7318613 0.73 F2 (0.65)
SCHEMBL7318620 0.73 F2 (0.65)
SCHEMBL7338817 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GAAHPGD

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-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed