SCHEMBL28286282

SCHEMBL28286282

Nc1cccc(C[C@H](O)CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
FOLH1 Q04609 1/20 0.45
TRPA1 O75762 1/20 0.45
CPB2 Q96IY4 2/20 0.44
CPN1 P15169 1/20 0.44
MME P08473 1/20 0.43
GABRR1 P24046 2/20 0.42
LMNA P02545 1/20 0.42
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
NAMPT P43490 1/20 0.42
ADRB2 P07550 4/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL3078044 0.84 MAOB (0.52) MAOAMAOBCPB2CPN1ADRB2
SCHEMBL27999580 0.83 ANPEP (0.49) MAOAMAOBFOLH1CPB2CPN1
SCHEMBL289224 0.83 ANPEP (0.49) MAOAMAOBFOLH1CPB2CPN1
SCHEMBL28045303 0.80 SLC1A1 (0.55) FOLH1TRPA1MME
SCHEMBL28027446 0.80 PNMT (0.50) FOLH1TRPA1MME
SCHEMBL22607932 0.80 FOLH1 (0.45) FOLH1TRPA1CPB2CPA1CPB1
SCHEMBL22607933 0.80 FOLH1 (0.45) FOLH1TRPA1CPB2CPA1CPB1
SCHEMBL6138407 0.80 TRPA1 (0.65) TRPA1CPB2CPA1CPB1CPA3
SCHEMBL10535065 0.80 TRPA1 (0.65) TRPA1CPB2CPA1CPB1CPA3
SCHEMBL1861755 0.80 TRPA1 (0.65) TRPA1CPB2CPA1CPB1CPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661060-B Phenanthroline phosphonic acids analog derivative and its preparation method and application 厦门市博瑞来医药科技有限公司 2019-04-19 CN disclosed