SCHEMBL9852784

SCHEMBL9852784

O=C[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
ACE P12821 1/20 0.56
EPHX1 P07099 1/20 0.55
CAPN1 P07384 2/20 0.53
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ANPEP P15144 1/20 0.52
CTSB P07858 1/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL7445998 0.83 CAPN1 (0.55) ACECAPN1CTSBNPC1RAB9A
SCHEMBL2369340 0.80 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL17865652 0.80 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL3292711 0.80 CAPN1 (0.61) ACECAPN1CTSB
SCHEMBL8357482 0.80 CTSB (0.67) ACECAPN1CTSBMAPT
SCHEMBL1741997 0.78 NPC1 (0.60) ACECAPN1CTSBNPC1RAB9A
SCHEMBL6032606 0.78 EPHX1 (0.85) KMT2AMEN1TSHREPHX1CA12
SCHEMBL29687117 0.78 KMT2A (0.75) KMT2AMEN1TSHREPHX1ANPEP
SCHEMBL8837504 0.78 CTRB1 (0.60) KMT2AMEN1TSHREPHX1ANPEP
SCHEMBL9852783 0.78 KMT2A (0.59) KMT2AMEN1TSHREPHX1CA12

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed