SCHEMBL9070525

SCHEMBL9070525

NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.48
BLM P54132 3/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 2/20 0.46
C5AR1 P21730 1/20 0.46
POLB P06746 1/20 0.46
UBE2N P61088 1/20 0.46
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
PRSS3 P35030 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
APEX1 P27695 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL7148513 1.00 NFKB1 (0.48) NFKB1BLMPMP22KMT2AC5AR1
SCHEMBL7916416 0.92 NFKB1 (0.57) NFKB1BLMPMP22KMT2APOLB
SCHEMBL30352666 0.92 NFKB1 (0.57) NFKB1BLMPMP22KMT2APOLB
SCHEMBL22714045 0.89 PDE4A (0.43) NFKB1BLMPMP22ADRB3
SCHEMBL17024332 0.87 FFAR4 (0.51) NFKB1BLMPMP22MAPTTDP1
SCHEMBL4165459 0.87 MRGPRX4 (0.52) NFKB1BLMPMP22KMT2ATAAR1
SCHEMBL4659219 0.87 MRGPRX4 (0.52) NFKB1BLMPMP22KMT2ATAAR1
SCHEMBL4866879 0.86 ELANE (0.47) NFKB1C5AR1F2ADRB2ADRB1
SCHEMBL7153073 0.86 ELANE (0.47) NFKB1C5AR1F2ADRB2ADRB1
SCHEMBL4376651 0.85 POLB (0.43) NFKB1KMT2AC5AR1POLBUBE2N

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58134060-A None JP disclosed
US-5514694-A ENZYME INHIBITORS GEORGIA TECH RESEARCH CORP (US) 1996-05-07 US disclosed
EP-0650368-A1 USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF MEDICAL CONDITIONS ASSOCIATED WITH INCREASED CALPAIN ACTIVITY CORTEX PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
WO-1994000095-A2 USE OF CALPAIN INHIBITORS IN THE INHIBITION AND TREATMENT OF MEDICAL CONDITIONS ASSOCIATED WITH INCREASED CALPAIN ACTIVITY CORTEX PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
JP-S58134060-A PRODUCTION OF ALPHA-AMINOMETHYLBENZYL ALCOHOL DERIVATIVE OTA SEIYAKU KK 1983-08-10 JP disclosed