SCHEMBL7575147

SCHEMBL7575147

CCS(=O)(=O)Cc1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
PDE2A O00408 1/20 0.32
HCRTR2 O43614 4/20 0.32
HCRTR1 O43613 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CCR5 P51681 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL9115234 0.92 PDE2A (0.33) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7575701 0.89 HCRTR2 (0.40) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL9116513 0.86 DHODH (0.33) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7575613 0.85 DHODH (0.33) DHODHPDE2APOLB
SCHEMBL9116676 0.85 CYP2D6 (0.37) DHODHCYP2D6SMYD3HTTALOX5AP
SCHEMBL8891781 0.83 DHODH (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL8889685 0.82 CCNE1 (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7574501 0.81 DHODH (0.34) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL8489199 0.81 NAAA (0.38) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL7577691 0.81 DHODH (0.36) DHODHTAS1R3TAS1R1TAS1R2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP claimed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP claimed
EP-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed