SCHEMBL7986750

SCHEMBL7986750

CC(C)(C)OC(=O)N=C(NCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 5/20 0.46
EPHX2 P34913 3/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RIPK1 Q13546 1/20 0.43
HPGD P15428 1/20 0.42
MMP13 P45452 1/20 0.41
CTSK P43235 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7986748 1.00 MMP8 (0.48) MMP8LMNARAB9ANR1H4EPHX2
SCHEMBL7989719 0.88 LMNA (0.42) MMP8LMNARAB9AKMT2ACA12
SCHEMBL7989716 0.88 LMNA (0.42) MMP8LMNARAB9AKMT2ACA12
SCHEMBL7992658 0.87 SMN1; SMN2 (0.56) LMNARAB9AEPHX2KMT2AHPGD
SCHEMBL7992662 0.87 SMN1; SMN2 (0.56) LMNARAB9AEPHX2KMT2AHPGD
SCHEMBL7975312 0.79 MAPT (0.47) NR1H4EPHX2KMT2ACA1HPGD
SCHEMBL7975315 0.79 MAPT (0.47) NR1H4EPHX2KMT2ACA1HPGD
SCHEMBL7988109 0.79 GRIN2D (0.49) MMP8LMNARAB9AKMT2ACA12
SCHEMBL20488322 0.79 NR1H4 (0.48) MMP8NR1H4EPHX2KMT2ACA12
SCHEMBL20127882 0.77 CA12 (0.46) MMP8LMNARAB9AKMT2ACA12

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed