SCHEMBL8160508

SCHEMBL8160508

CCC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.36
ALOX12 P18054 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL11074608 0.85 KDM4E (0.48) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL14006497 0.83 TSHR (0.43) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL11084751 0.83 TSHR (0.43) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL10615826 0.83 TSHR (0.58) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL9292593 0.81 TSHR (0.42) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL10614819 0.80 ALDH1A1 (0.47) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL8160510 0.76 ALDH1A1 (0.38) SMN1; SMN2TSHRHTR2AHTR2CHTR2B
SCHEMBL11078357 0.75 PKM (0.46) SMN1; SMN2TSHRKDM4EHPGDALDH1A1
SCHEMBL7266571 0.73 SMN1; SMN2 (0.41) SMN1; SMN2TSHRKDM4EHPGDALDH1A1
SCHEMBL9403723 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672663-B1 Herbicidal tetrazolinones BAYER AGROCHEM KK (JP) 2000-07-12 EP claimed
EP-0612735-B1 1-(substituted phenyl) tetrazolinone derivatives, their preparation and their use as herbicides BAYER AGROCHEM KK (JP) 1998-05-13 EP claimed
EP-0578090-B1 Tetrazolinones as herbicides for use in a rice paddy BAYER AGROCHEM KK (JP) 1996-12-27 EP claimed
EP-0672663-A1 Herbicidal tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-09-20 EP claimed
US-5362704-A Herbicidal tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1994-11-08 US claimed
EP-0612735-A1 1-(substituted phenyl) tetrazolinone derivatives, their preparation and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-31 EP claimed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 EP claimed
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed
US-5405828-A Selective pre- and postemergence herbicides MITSUBISHI KASEI CORPORATION (JP) 1995-04-11 US disclosed
US-5324709-A Safety on crops MITSUBISHI KASEI CORPORATION (JP) 1994-06-28 US disclosed
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed