SCHEMBL27816149

SCHEMBL27816149

O=C(O)C(COCc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.67
CYP1A2 P05177 1/20 0.66
CPA1 P15085 7/20 0.58
CPA3 P15088 3/20 0.58
FOLH1 Q04609 2/20 0.58
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MME P08473 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL7267044 1.00 SLC1A1 (0.67) SLC1A1CYP1A2CPA1CPA3FOLH1
SCHEMBL27816147 1.00 SLC1A1 (0.67) SLC1A1CYP1A2CPA1CPA3FOLH1
SCHEMBL8839263 0.91 SLC1A1 (0.73) SLC1A1CYP1A2CPA1CPA3FOLH1
SCHEMBL28294483 0.86 SLC1A1 (0.67) SLC1A1CYP1A2CPA1CPA3FOLH1
SCHEMBL8701198 0.84 SLC1A1 (0.57) SLC1A1CYP1A2CPA1CPA3FOLH1
SCHEMBL16000772 0.84 SLC1A1 (0.65) SLC1A1CYP1A2CPA3FOLH1CA1
SCHEMBL13103435 0.83 SLC1A1 (0.52) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL16898388 0.83 SLC1A1 (0.63) SLC1A1CYP1A2CPA3FOLH1CA1
SCHEMBL16898390 0.83 SLC1A1 (0.63) SLC1A1CYP1A2CPA3FOLH1CA1
SCHEMBL17884784 0.81 SLC1A1 (0.61) SLC1A1CYP1A2CPA1CPA3FOLH1

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
CN-102127005-B Intermediate of alvimopan and synthesis method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2012-11-21 CN claimed
CN-102127005-A Intermediate of alvimopan and synthesis method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2011-07-20 CN claimed
CN-102127005-B Intermediate of alvimopan and synthesis method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2012-11-21 CN disclosed
CN-102127005-A Intermediate of alvimopan and synthesis method thereof BRIGHTGENE BIO MEDICAL TECHNOLOGY CO LTD 2011-07-20 CN disclosed