SCHEMBL27749720

SCHEMBL27749720

Cc1c(C(=O)O)ccc([C@@H](C)c2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
GRM1 Q13255 1/20 0.40
CYP2C9 P11712 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AKR1C3 P42330 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
DHODH Q02127 1/20 0.36
PDE10A Q9Y233 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
MYC P01106 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL27749718 1.00 TYR (0.42) TYRGRM1CYP2C9HCAR2AKR1C3
SCHEMBL18641007 0.83 GRM1 (0.42) TYRGRM1CYP2C9ALDH1A1ALOX15
SCHEMBL27588019 0.81 ACE2 (0.47) GRM1ALDH1A1FABP3FABP4ACE2
SCHEMBL7198474 0.81 TYR (0.42) TYRAKR1C3ALDH1A1ALOX15FABP3
SCHEMBL7201769 0.80 ALDH1A1 (0.44) TYRCYP2C9HCAR2AKR1C3ALDH1A1
SCHEMBL27985345 0.78 GRM1 (0.42) GRM1AKR1C3ALDH1A1FABP3FABP4
SCHEMBL27821540 0.78 GRM1 (0.45) GRM1AKR1C3ALDH1A1ALOX15FABP3
SCHEMBL584940 0.77 ALDH1A1 (0.55) TYRAKR1C3ALDH1A1ALOX15KDM4C
SCHEMBL10487156 0.77 TYR (0.49) TYRHCAR2ALDH1A1FABP3FABP4
SCHEMBL28753748 0.76 GRM1 (0.47) GRM1AKR1C3ALDH1A1FABP3FABP4

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-101287366-A Insecticidal substituted benzylamino heterocyclic and heteroaryl derivatives BAYER CROPSCIENCE AG (DE) 2008-10-15 CN claimed
CN-101287366-A Insecticidal substituted benzylamino heterocyclic and heteroaryl derivatives BAYER CROPSCIENCE AG (DE) 2008-10-15 CN disclosed