SCHEMBL7972519

SCHEMBL7972519

COC1C(=O)OCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.35
CYP3A4 P08684 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9046798 0.81 HTR2A (0.43) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL14169739 0.77 MAOA (0.44) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL17911550 0.74 KDM4E (0.41) MAOAMAOBKDM4EMAPTLMNA
SCHEMBL28428106 0.74 MAOB (0.41) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL10824926 0.73 KMT2A (0.42) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL14275684 0.73 ANPEP (0.53) MAOAMAOBHTR2AANPEP
SCHEMBL10824933 0.72 ALDH1A1 (0.39) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL9047807 0.72 HTR2A (0.38) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL3976186 0.71 CHRNA7 (0.43) KDM4EALDH1A1SMN1; SMN2CYP3A4HTR2A
SCHEMBL10921909 0.71 TBXA2R (0.53)

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
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed