SCHEMBL6170362

SCHEMBL6170362

C[C@H](OCc1ccccc1)C(O)CCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
AKR1B1 P15121 2/20 0.42
METAP2 P50579 2/20 0.42
PSMB5 P28074 1/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
TACR1 P25103 2/20 0.40
RCE1 Q9Y256 1/20 0.40
ADA P00813 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
METAP1 P53582 1/20 0.39
HPGD P15428 1/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6173727 1.00 KMT2A (0.46) KMT2ASIGMAR1AKR1B1METAP2PSMB5
SCHEMBL6173917 1.00 KMT2A (0.46) KMT2ASIGMAR1AKR1B1METAP2PSMB5
SCHEMBL6170921 0.92 SIGMAR1 (0.49) KMT2ASIGMAR1AKR1B1METAP2PSMB5
SCHEMBL6134908 0.87 ATM (0.36) KMT2ASIGMAR1AKR1B1METAP2PSMB5
SCHEMBL6134460 0.87 MTNR1A (0.37) KMT2ASIGMAR1AKR1B1RCE1
SCHEMBL6173226 0.84 RCE1 (0.48) KMT2ARCE1KDM4EALDH1A1
SCHEMBL6171131 0.82 RCE1 (0.42) KMT2ARCE1ALDH1A1HPGD
SCHEMBL6172965 0.82 RCE1 (0.42) KMT2APSMB5RCE1ALDH1A1TDP1
SCHEMBL6173227 0.81 SLC6A2 (0.49) RCE1
SCHEMBL6171925 0.81 SLC6A2 (0.39) KMT2ARCE1ADAALDH1A1

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
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed