SCHEMBL10338447

SCHEMBL10338447

CCCCCOc1cc(NC(=O)C2(C=O)CCCCC2C(=O)OCC)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 6/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9769707 0.73 PPOX (0.41) PPOXTAS1R3TAS1R1LMNANPSR1
SCHEMBL9769706 0.67 PPOX (0.43) PPOXTAS1R3TAS1R1TSHRALDH1A1
SCHEMBL7922423 0.67 SCN9A (0.48) PPOXTSHRALDH1A1LMNANPSR1
SCHEMBL9769666 0.66 RAB9A (0.44) TAS1R3TAS1R1TSHRALDH1A1L3MBTL1
SCHEMBL9069572 0.64 L3MBTL1 (0.54) PPOXTSHRALDH1A1LMNANPSR1
SCHEMBL9769699 0.64 PPOX (0.46) PPOXTAS1R3TAS1R1TSHRALDH1A1
SCHEMBL11104285 0.63 PPOX (0.39) PPOXALDH1A1LMNAL3MBTL1HTT
SCHEMBL10408155 0.63 DHODH (0.51) PPOXLMNANPSR1
SCHEMBL9440088 0.63 ALDH1A1 (0.44) PPOXTSHRALDH1A1LMNANPSR1
SCHEMBL8998075 0.62 ALDH1A1 (0.44) TSHRALDH1A1LMNANPSR1L3MBTL1

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
JP-2073047-A None JP disclosed
JP-H0273047-A HEXAHYDROPHTHALIC ACID ANILIDE DERIVATIVE, PREPARATION THEREOF AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT TOSOH CORP 1990-03-13 JP disclosed