SCHEMBL7925124

SCHEMBL7925124

O=C(NCCc1ccccc1)C(O)C(CCO)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.46
POLB P06746 1/20 0.45
METAP2 P50579 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MMP8 P22894 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
EPHX1 P07099 1/20 0.41
CNR1 P21554 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PLAAT5 Q96KN8 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
SCHEMBL7925096 0.93 KMT2A (0.52) MMP8CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7925086 0.81 KMT2A (0.40) POLBCA12CA9CYP2C9CYP2C19
SCHEMBL9192833 0.79 POLB (0.61) ADAM17POLBCA12CA2CA9
SCHEMBL10635162 0.79 POLB (0.61) ADAM17POLBCA12CA2CA9
SCHEMBL7924570 0.79 METAP2 (0.60) POLBMETAP2CA12CA2CA9
SCHEMBL6232756 0.73 KMT2A (0.59) POLBCA12CA2CA9MMP8
SCHEMBL10492080 0.72 POLB (0.61) POLBCA12CA2CA9MMP8
SCHEMBL9188615 0.72 POLB (0.54) POLBMETAP2CA12CA2CA9
SCHEMBL7916657 0.71 CYP2D6 (0.57) METAP2MMP8CYP2D6CYP2C9CYP2C19
SCHEMBL7950693 0.70 LAP3 (0.72) POLBMETAP2CA12CA2CA9

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-6235929-B1 SELECTIVELY INHIBITING SERINE PROTEASES, SELECTIVELY INHIBITING CYSTEINE PROTEASES, GEORGIA TECH RESEARCH CORPORATION 2001-05-22 US disclosed
US-5763576-A Tetrapeptide α-ketoamides GEORGIA TECH RESEARCH CORP. (US) 1998-06-09 US disclosed