SCHEMBL7313776

SCHEMBL7313776

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.41
HPGD P15428 3/20 0.38
ACHE P22303 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GAA P10253 2/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
LIPE Q05469 1/20 0.33
POLB P06746 2/20 0.32
RAB9A P51151 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
SCHEMBL7309173 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL7338817 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL7319267 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL7317082 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL7336551 0.76 F2 (0.41) KMT2AHPGDDPP4
SCHEMBL7327687 0.74 F2 (0.41) ALDH1A1MEN1KMT2AHPGD
SCHEMBL7322630 0.73 L3MBTL1 (0.39) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL7312251 0.73 POLB (0.42) ALDH1A1MEN1KMT2AHPGDACHE
SCHEMBL7316493 0.73 HSD11B1 (0.42) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL13663708 0.66 NPC1 (0.62) ALDH1A1MEN1KMT2ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed
US-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed