SCHEMBL27953598

SCHEMBL27953598

NCCCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 3/20 0.58
▸ GRIK1 P39086 1/20 0.58
▸ MAOA P21397 1/20 0.50
▸ FOLH1 Q04609 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ LAP3 P28838 3/20 0.48
▸ ERAP2 Q6P179 2/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.48
▸ ANPEP P15144 1/20 0.48
▸ CPA1 P15085 1/20 0.47
▸ CPA2 P48052 1/20 0.47
▸ CPA4 Q9UI42 1/20 0.47

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
SCHEMBL9336513 0.93 CPB2 (0.67) CPB2GRIK1MAOAFOLH1CYP1A2
SCHEMBL19438906 0.93 GRIK1 (0.67) CPB2GRIK1MAOAFOLH1CYP1A2
SCHEMBL1860416 0.87 GRIK1 (0.68) CPB2GRIK1FOLH1CYP1A2LAP3
SCHEMBL1857365 0.87 CYP1A2 (0.61) CPB2GRIK1FOLH1CYP1A2LAP3
SCHEMBL1862995 0.86 GRIK1 (0.61) CPB2GRIK1FOLH1CYP1A2
Water SCHEMBL4010621 0.85 CYP1A2 (0.59) CPB2GRIK1FOLH1CYP1A2LAP3
SCHEMBL429946 0.84 FOLH1 (0.70) CPB2FOLH1CYP1A2CPA1
SCHEMBL7390788 0.84 GRIK1 (0.54) CPB2GRIK1CYP1A2LAP3ERAP2
SCHEMBL1856639 0.83 GRIK1 (0.72) CPB2GRIK1FOLH1CYP1A2CPA1
Hydrochloric Acid SCHEMBL30239113 0.83 FOLH1 (0.68) CPB2GRIK1FOLH1CYP1A2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245954-A Bacterial imaging agents and methods of use thereof VISEN MEDICAL INC 2014-12-24 — — CN disclosed
CN-103687854-A Carbonic anhydrase targeting agents and methods of use thereof VISEN MEDICAL INC 2014-03-26 — — CN disclosed
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