SCHEMBL9354575

SCHEMBL9354575

O=C(OCc1ccccc1)C(Cc1ccccc1)OC(=O)N1CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
AKR1C3 P42330 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.45
MMP8 P22894 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FKBP1A P62942 1/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9354580 1.00 KMT2A (0.62) KMT2AMEN1NPSR1AKR1C3CYP2C19
SCHEMBL7326296 0.95 KMT2A (0.67) KMT2AMEN1NPSR1CYP2C19ALDH1A1
SCHEMBL9358799 0.95 KMT2A (0.67) KMT2AMEN1NPSR1CYP2C19ALDH1A1
SCHEMBL9355043 0.88 KMT2A (0.53) KMT2AMEN1NPSR1AKR1C3CYP2C19
SCHEMBL9355033 0.88 KMT2A (0.53) KMT2AMEN1NPSR1AKR1C3CYP2C19
SCHEMBL9354275 0.88 KMT2A (0.55) KMT2AMEN1NPSR1AKR1C3CYP2C19
SCHEMBL9354281 0.88 KMT2A (0.55) KMT2AMEN1NPSR1AKR1C3CYP2C19
SCHEMBL9355220 0.83 HSD17B10 (0.53) KMT2AMEN1NPSR1CYP2C19SMN1; SMN2
SCHEMBL9355215 0.83 HSD17B10 (0.53) KMT2AMEN1NPSR1CYP2C19SMN1; SMN2
SCHEMBL7290435 0.83 KMT2A (0.56) KMT2AMEN1NPSR1CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed