SCHEMBL7322630

SCHEMBL7322630

CC1CCN(C(=O)[C@H](CCCSc2nccn2C)N(C(=O)O)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR10 P46092 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CHRM5 P08912 1/20 0.34
APOBEC3A P31941 1/20 0.33

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
SCHEMBL7316493 0.80 HSD11B1 (0.42) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7312251 0.80 POLB (0.42) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL7336551 0.73 F2 (0.41) KMT2ATSHRHPGDCYP1A2CYP2C19
SCHEMBL7309173 0.73 ALDH1A1 (0.44) L3MBTL1POLBKMT2AMEN1ALDH1A1
SCHEMBL7313776 0.73 ALDH1A1 (0.44) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL7338817 0.72 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL7327687 0.71 F2 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7311095 0.71 F2 (0.62) CCR10
SCHEMBL7319267 0.68 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7317082 0.68 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1HPGD

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